Professional Documents
Culture Documents
Version 13
powered by UMETRICS
In this document BioPAT® MODDE, BioPAT® SIMCA and BioPAT® SIMCA-online can be
synonymously read as MODDE ®, SIMCA ® and SIMCA-online ®.
Screenshots may vary from the actual view, depending on the version you are using.
chemometrics@sartorius-stedim.com
Or visit our webpage:www.sartorius-stedim.com
Partner company:
File 23
Introduction.................................................................................................................. 23
Log in/Log out ............................................................................................................. 23
Configuring network settings ............................................................................................ 24
Open............................................................................................................................. 24
Open workspace........................................................................................................... 25
Print, Print preview, Print setup ................................................................................... 25
Extract .......................................................................................................................... 25
Extract Data - Select Tags ................................................................................................. 25
Extract Data - Select Type ................................................................................................ 26
i
BioPAT ® SIMCA-online User Guide
View 59
Introduction.................................................................................................................. 59
Data list ........................................................................................................................ 59
Show or hide ................................................................................................................ 59
Project info ........................................................................................................................ 60
Log .................................................................................................................................... 60
Status bar........................................................................................................................... 60
Overview ........................................................................................................................... 60
Plot Details ........................................................................................................................ 62
Tabs ................................................................................................................................... 62
Full screen ......................................................................................................................... 62
Open............................................................................................................................. 62
Configuration audit trail .................................................................................................... 62
Client log........................................................................................................................... 64
Report................................................................................................................................ 65
Window group ............................................................................................................. 68
Save workspace ................................................................................................................. 69
Tools 71
Introduction.................................................................................................................. 71
Select - Marking tool ................................................................................................... 71
Deselecting/unmarking points ........................................................................................... 71
Displaying properties of the item ...................................................................................... 71
Creating contribution plots ................................................................................................ 71
Zoom ............................................................................................................................ 71
Zooming out................................................................................................................. 72
Sort............................................................................................................................... 72
Drill down .................................................................................................................... 72
Contribution plots for batch projects ................................................................................. 72
Contribution plots for regular projects .............................................................................. 79
ii
Table Of Contents
Maintenance 133
Introduction................................................................................................................ 133
iii
BioPAT ® SIMCA-online User Guide
iv
Installation and configuration
Introduction
This chapter describes the installation of SIMCA-online and configuration of the BioPAT® SIMCA-
online Server.
Content
x License information
x What is in the package
x System requirements
x Installation
x DBMaker and DBView
x Configuration of the Server
License information
Before installing the BioPAT® SIMCA-online products, carefully read the license agreement included
with your BioPAT® SIMCA-online software package.
In case you do not fully accept the terms of the license agreement, you should immediately return all parts
of the package to your local supplier.
System requirements
The recommended system requirements for the BioPAT® SIMCA-online Server are:
x Pentium based computer (PC) with a 2 GHz or faster processor.
x 2 GB RAM or more.
x 20 GB available hard disk space.
x Color graphics display with at least 1024x768 resolution.
x Microsoft Windows XP SP3, Windows Vista SP2, Windows 7 SP1, Windows 8, Windows Server
2003 SP2, Windows Server 2003 R2 SP2, Windows Server 2008 SP2, or Windows Server 2008
R2 SP1.
x The x64 version of BioPAT® SIMCA-online requires a 64-bit operating system, a 64-bit SimApi
DLL and a BioPAT® SIMCA-online license that permits it to run on 64-bit Windows.
x SIMCA 13.
Installation
Before installing, verify that the system requirements apply to your system.
1
®
BioPAT SIMCA-online User Guide
2
Installation and configuration
Action Illustration
6. The setup program is ready for installation.
Click Install.
While installing a progress bar is displayed.
9. To be able to run the BioPAT® SIMCA-online Server, import the license-file named
SIMCAonline.$$$, delivered to you, by clicking the Import button in the Paths and directories page
in BioPAT® SIMCA-online Server Options dialog (see illustration in step 8), and browsing for the
file.
10. To use a different SimApi DLL-file than the default, follow the instructions that came with the DLL, or
in some cases simply copy the DLL from the BioPAT® SIMCA-online package to the folder of the
server executable. Then switch SimApi in the SimApi page in the BioPAT® SIMCA-online Server
Options dialog.
Installed programs
Find the program icons, under Start | All Programs | Umetrics | BioPAT® SIMCA-online 13.
x Tools: DBMaker and DBView.
x BioPAT® SIMCA-online Client.
x BioPAT® SIMCA-online Server Options.
x BioPAT® SIMCA-online Server Monitor. Server Monitor opens an icon in the notification
area in the taskbar. Right-click the icon and from the menu start the Server, launch the client,
Server Options and Help.
x BioPAT® SIMCA-online Help.
3
®
BioPAT SIMCA-online User Guide
4
Installation and configuration
Select the SimApi in the list and click the Change button to view and modify the settings.
Note that some SimApi DLL may have other means of modifying the settings for the DLL.
Installing SimApi DLLs - interfaces to external systems
See the BioPAT® SIMCA-online interfaces section in Appendix A: General Information to learn how
to install SimApi DLL on your server for use with various external systems from which you want to obtain
data.
Miscellaneous settings
Click an item to display the description and customize the settings as needed.
Log file
Under Log file, change or view, the maximum log file size in kB and minimum severity level to be logged
by selecting Log level. Available log levels are: Debug, Information (default), Warning, Error, or
Critical. Critical is the lowest level and logs the least information. Debug is the highest level and logs the
most information. Each level is cumulative of the lower levels.
x Debug logs in great detail everything that happens including all communication and actual values
read from the external database. Using this setting may slow down the system but provides the
necessary details to know what the server is doing at all times. Recommended by Umetrics online
support as soon as you want to identify problems.
x Information logs login, logout, project added, batch started etc.
x Warning logs incidents, such as a SimApi function being time consuming or a client being
unexpectedly disconnected.
x Error logs errors in the server, such as failing to predict or failing to read from external database.
x Critical logs severe problems that will prohibit you from continuing to run BioPAT® SIMCA-
online, such as project crash or out of memory.
5
®
BioPAT SIMCA-online User Guide
6
Introduction to multivariate modeling
7
®
BioPAT SIMCA-online User Guide
Time
One batch
Batches
Variables
Figure 1. Three-way table of historical data of, for example, N batches with J time points, and K variables. Often the
batches have different length (not shown in the picture) and may also be divided in phases.
This section describes modeling of the batch evolution in BioPAT® SIMCA.
B1 Time
Recorded variables:
Ethanol,
B2 Temperature,
Molasses flow,
Batches B3 NH3 feed,
Air flow,
… Tank level,
pH.
Bn
Figure 2. The three-way matrix of figure 1 unfolded along the batch direction to give a two-way matrix with N x J
rows and K columns. Each row has the data (xijk) from a single batch observation (batch i, time j, variable k).
8
Introduction to multivariate modeling
3a 3b
Figure 3a and b. 3a displays the three-way matrix unfolded along the batch direction with sub-batches. 3b displays the
permutation to certify that variations in sub-batches will not lead to different models.
The following table explains figure 3:
Original Modified Modification Specifically in Figure 3
term term explanation
Data Permutated The sub- In Figure 3a there are three batches
Data batches have and two phases. Phase 1 has three
been sub-batches while Phase 2 has no
permutated so sub-batches.
that each sub- Now, let's look at Batch 1: in Figure
batch is 3b, through the permutation, each
included in each sub-batch (Sub-batch 1, 2, and 3) has
phase once. been combined with each phase ID
(Phase 1:1, 1:2, 1:3) leading to three
unique batch IDs (Batch 1:1, 1:2, 1:3).
For Phase 2, no permutation is
necessary, therefore Phase 2 is only
present in the first batch (Batch x:1).
Real Modified Each sub-batch In Figure 3a, there are two phases,
Phase ID Phase ID has to be Phase 1 and Phase 2. In Figure 3b
imported as a there are four phases Phase 1:1, 1:2,
phase, and 1:3, and 2, so that all sub-batches
therefore needs have unique phase IDs.
a unique phase
ID.
Modeling
When importing the dataset in BioPAT® SIMCA and no maturity (y-variable) has been specified, an
index y-variable starting at 0 is constructed representing the "relative local batch time".
The default model, after completed import in BioPAT® SIMCA, is a PLS model for the centered and
scaled X and "relative local batch time", y if no other y was specified. If a maturity variable, recorded
relative to the start of each batch, was defined as y, that variable will be used as y by default.
9
®
BioPAT SIMCA-online User Guide
When fitting the batch PLS model, “Autofit” will stop when 85% of X has been explained, but will also
give at least 3 components (not exceeding N/2). This is necessary in order to ensure that much of the X-
matrix is "explained". This results in an (nobs x A) score matrix, T, plus PLS weight and loading matrices
W and P (of dimensions K x A).
Batches with different length
Alignment of data is done differently depending on configuration of the time/ maturity variables. For
batches of similar length the impact is small. The default y configuration aligns the batch length by cutting
the longer batches at median (or average) batch length. Batches that are shorter than the median (or
average) batch are filled up with the last value up to the median batch length.
The used length in average batch is the shorter of the median batch length and the average batch length
rounded down.
Result variables
The score matrix T is a good summary of X, and PLS focuses this summary on y (local time). Hence the
first column of t (t1) will contain strong contributions of those X-variables that vary monotonically with y,
i.e., either increase or decrease with time. The second component (t2) is an aggregate mainly of those
variables that change “quadratically” with time, i.e., first go up to a maximum, and then decrease, or first
go down, and then up. The third component catches the variables having a cubic behavior, etc.
The value of "local time" predicted by the PLS model (with the number of components determined by
cross-validation ), ypred, is very suitable as a "maturity index" that can be used to indicate how far the batch
has evolved, if it is ready for termination, etc.
StDev Avg – 3 sd
Time
Figure 4. The score values for each batch are arranged as row vectors below each other, giving
an N x (J x A) matrix, ST. Above we see only the first part of ST corresponding to the 1.st
component (t1). From this matrix one calculates the averages and standard deviations (SD:s) of
the matrix columns, and then control intervals as the averages r 3 SD.
2. Calculating tolerance limits for control charts: Now the matrix ST is used to derive minimum
and maximum tolerated values at each time point (j) of tj1, tj2, tj3…, tjA from the column averages
and standard deviations of ST, as indicated in figure 4. In MSPC one would typically use
tolerance intervals of the average r 3 SD at each time point. Hence, we now have for each score
vector an average trace with upper and lower tolerance limits.
The corresponding actions are done when building the control charts for Predicted Y, DModX, and
Hotelling's T2Range.
10
Introduction to multivariate modeling
Z ST
Figure 5. The data for batch level modeling. Each row has the data from one batch. The left matrix contains data
describing initial conditions. The middle matrix contains the unfolded scores (or original variables or summary
variables) which describe the evolution of each batch. The optional right matrix (Y) contains the responses, the
properties of the complete batch such as yield, purity, activity, etc.
11
®
BioPAT SIMCA-online User Guide
12
Using BioPAT® SIMCA-online
Introduction
BioPAT® SIMCA-online version 13 is an execution module for models built with SIMCA version 13, in
this user guide referred to as SIMCA. BioPAT® SIMCA-online is designed as a client-server application.
BioPAT® SIMCA-online reads data from the process (referred to as external system or external database)
at regular intervals through supported interfaces.
BioPAT® SIMCA-online executes multivariate models, thereby projecting new data, in real time, on to
the model plane. This results in coordinates in the model plane, together with the distance between the new
points and the model plane, DModX. The real time display of these results allow for an efficient
monitoring of online process or batch data.
Preparation
Before using BioPAT® SIMCA-online you must develop a project in SIMCA. This is done by building
the models, for batch project batch evolution models and optionally batch level models, from data
representing good process or batch behavior.
For details on creating projects, see the SIMCA user guide.
Content
x Preparation by the administrator
x BioPAT® SIMCA-online physical overview
x BioPAT® SIMCA-online environment
x Monitoring the model
x Differences compared with SIMCA and unsupported features
x Terminology
x Client window
x Communication with the external system
13
®
BioPAT SIMCA-online User Guide
4. Logging on as Select the server to connect to. Use For more, see the Log in/Log
administrator. the button next to the server to set out section in the File chapter.
up servers to connect to. Log on as The Connect dialog is opened
Administrator with its password automatically when starting
(default is empty). Click Connect. the client.
5. Adding a Add the SIMCA project and For more, see the Add
project. configure it from File | configuration for batch
Administration | Project project and Add
administration. configuration for regular
project sections in the
Project administration
chapter.
6. Starting the In the Project Administration For more, see the Starting
execution. dialog, select the configuration and and stopping the execution
of the project section in the
click the play button.
Project administration
chapter.
7. Adding users Add user accounts and their For more, see the User
privileges by clicking File | administration section.
Administration | User
administration.
Now the project can be opened from any client connected to the server.
Note: To stop the server, right-click the BioPAT® SIMCA-online Server Monitor icon , in the taskbar
notification area, and click Stop server.
Server icons
The Server Monitor icon shows the state of the BioPAT® SIMCA-online service.
Icon Description
The server is not running. Icon before starting and after stopping the server.
The server is pending. Icon during starting and stopping of the server.
®
BioPAT SIMCA-online physical overview
The BioPAT® SIMCA-online Server is running on a specific server computer. The server has copies of
the SIMCA projects, and executes those, making multivariate predictions, for new data that the server
obtains from a Data Source. To get the data from the data source the server uses a SimApi DLL. The
server also stores all predictions locally on disk on the server.
Clients connect to the server to view how the process evolves, by interacting with plots, etc.
14
Using BioPAT ® SIMCA-online
®
BioPAT SIMCA-online environment
This subsection describes the different pieces of software that make up the BioPAT® SIMCA-online
environment:
Client – the software you use to view the execution of the models, the predictions, any alarms and such.
Also used by administrators to import projects and set up configurations on the server. The client is the
software that contains the user interface to interact with the server.
There can be many clients running at the same time on different computers, all connecting to the same
server.
Server – there is one server running on one computer which uses data from its data source to predict new
results using the BioPAT® SIMCA-models. These results can then be displayed in the Client. You never
use the BioPAT® SIMCA-online Server directly, you always work with it through the client software or
any of the utilities listed below, for managing the server:
Server Monitor – a small icon and menu in the notification area in the taskbar of the server computer. It
can be used to start and stop the server and provides quick access to the server log. The server monitor is
optional, and doesn’t need to run, because the server is running as a service which can be started or
stopped as other windows services.
15
®
BioPAT SIMCA-online User Guide
Server Options – a small application that is run on the computer running the server. It is used to make
settings controlling how the server runs; what folders to use, what SimApi's to use, and to specify the
license file.
In addition there are two programs that are used for demo or testing purposes:
DBMaker –a demo data source, see the DBMaker and DBView subsection.
DBView –a small tool to view data from DBMaker and from the internal databases of the BioPAT®
SIMCA-online Server, see the DBMaker and DBView subsection.
To do by the user
The table lists what the user needs to do in order to monitor a project.
Step Action For more
1. Open a configuration known to the Server, in For more, see the Open
the Client. section in the File chapter.
2. Open plots. The plots are available on the For more see the Home
Home tab. chapter.
3. Open contribution plots. When time points or For more, see the Drill
batch points fall outside the limits, create down section in the Tools
contribution plots. chapter.
16
Using BioPAT ® SIMCA-online
Figure 6. This is an example of how BioPAT® SIMCA-online presents units, unit groups, and sub-batches in a batch
evolution plot.
In the table, the notation in Figure 6 is explained.
Unit Units Sub-batches Phases
Group
G G1, G2, G3. One sub-batch. In BioPAT® SIMCA- Phase 1
online, each unit has to have at and 2.
least one sub-batch. Therefore the
single sub-batch in this unit is
denoted Sub-batch 1 in the figure.
17
®
BioPAT SIMCA-online User Guide
Terminology
This section describes the basic terminology of BioPAT® SIMCA-online.
Project – a Sartorius-Stedim SIMCA Project (USP-file), containing the models you want to execute on the
BioPAT® SIMCA-online server. Projects are uploaded (automatically copied) to the server from the client
and then configured. For batch projects only one batch evolution model, BEM, may be present in the
imported project. The single BEM may include several phases and the project may also include several
batch level models, BLM.
18
Using BioPAT ® SIMCA-online
Client window
The BioPAT® SIMCA-online client consists of the ribbon tabs, the Quick Access Toolbar, the help menu,
tabs, and dockable windows. Plots and lists are displayed in the unused area between ribbon, dockable
windows and status bar in client window.
Note: You can have several clients open on the same computer.
Dockable The dockable windows are: The Overview and Show or hide
windows Project info, Log, Plot Details section in the
Overview, and Plot windows are placed View chapter.
Details. to the right, while
the others are
placed to the left.
<empty The area where the plots Center of the Plots sections in
area> are displayed. screen. the Home
chapter.
19
®
BioPAT SIMCA-online User Guide
20
Using BioPAT ® SIMCA-online
21
File
Introduction
On File tab the following is available:
x Log in/Log out and connect to server.
x Open project configurations and workspaces
x Print, Print preview, Print setup
x Extract data from the external database
x Administration with Project administration, Out limits, User administration, and Server log.
x About BioPAT® SIMCA-online to display program and license information, version number,
and copyright information.
x Close to close the current configuration.
x BioPAT® SIMCA-online options to view and change settings.
x Exit BioPAT® SIMCA-online to close the client.
x Recent files list with both recently opened project configurations and workspaces, with the
possibility to pin favorites.
23
®
BioPAT SIMCA-online User Guide
Note: If the client is connected to a server and you want to switch servers, click File | Log out and then
connect to the new server. Clicking Log out closes all open projects and disconnects from the current
Server.
See the Configuring network settings subsection next on how to add, remove, and configure the Server.
Note: The server port has to be the same in the client as in the server configuration. The default server
port is 2371.
To open the Configure Network Settings dialog, click File | Log in, then in the Log in dialog click the
browse-button to the right of the Server box.
Adding new server
To add a new server, click the Add button. The Server Settings dialog opens with the default settings.
Removing server
To remove a server, mark it and click the Remove button.
Editing the server configuration
To change the configuration of a server, mark the server and click the Edit button. Use the Server
Settings dialog to change the description, port number, and network address of the marked server.
New server available
When done adding, removing or configuring the servers, click OK in the Configure Network Settings
dialog. In the Log in dialog, note that the names of all servers, including any new server, are displayed in
the list of configured servers. Select the desired server and click Connect.
Note: The client port is dynamic and set by the operating system.
Open
To open a project configuration or workspace known to the Server, click File | Open. In this dialog all
project configurations and saved workspaces are listed.
24
File
For a project configuration to be known to the Server, it must have been added and configured in the
Project Administration in the Client.
For a workspace to be available, it must have been saved, either in the Project Administration dialog or
by clicking Save workspace in the Windows group on the View tab.
To close a project click File | Close, or right-click the project tab and click Close.
Open workspace
To open a workspace, in the Workspaces section, mark the workspace and click Open.
The Workspaces section is positioned below the Configurations section.
Extract
To extract data to spreadsheet or file, click File | Extract and click through the wizard.
The only difference between extracting to spreadsheet and extracting to file is the last page where you
select how to extract. When extracting to file you can select to save as (*.dif) DIF Files (*.dif), Text Files
(*.txt), or Matlab 4.x Files (*.mat).
There are three pages in the wizard:
x Extract Data - Select Tags
x Extract Data - Select Type
x Extract Data - Select Destination
25
®
BioPAT SIMCA-online User Guide
Then use the Time section to specify the range and sampling interval.
Hint1: To change the date, click the arrow to display the calendar.
Hint2: To change the time, start with the To time, position the cursor on the hours or minutes or seconds,
and use the up and down arrows in the dialog or on your keyboard.
26
File
x Clicking Extract to file and specifying the file to extract to. The path to the file is then displayed
in the Path field.
Administration
Use Administration to access:
x Project administration
x Out limits
x User administration
x Server audit trail
x Server log
Note: If you cannot see the Server log in the backstage menu, click the small arrow at the bottom of the
backstage.
Project administration
In the Project Administration dialog the projects and configurations currently known to the Server are
listed and an administrator with configure management permissions can do the following:
1. Add, configure, and remove batch project configurations and regular project configurations.
2. Start and stop the execution of a project configuration.
3. Repredict and delete predicted data.
4. Save workspaces.
For details, see the Project administration chapter.
To add an out limit, click the Add tag-button and select the tag to add the out limit for (see below).
27
®
BioPAT SIMCA-online User Guide
Note: Out limits are global and independent of configurations and take action before the data reaches the
clients.
Shortcut menu
You can copy, paste, and delete the values in the spreadsheet using the shortcut menu.
Right-clicking and clicking Print prints the spreadsheet.
User administration
For a BioPAT® SIMCA-online client to connect to the BioPAT® SIMCA-online Server, the user must
first log in to the server using a user name and password.
The Server keeps lists of users allowed to log on to the server, groups of users, and their rights to perform
various tasks. By default the account Administrator is created with an empty password. This account has
full rights to the server and can import projects and create configurations on the Server.
Note: It is recommended practice that the password for the Administrator account is changed from the
default.
After installation of the software, the administrator has to set up other user accounts with passwords for
the individuals that will use the system. These new users may have other permissions, for example cannot
delete projects from the server or cannot add new users.
Adding users with roles and group belonging is done using the tabs:
x Users
x Groups
x Roles
28
File
Users page
The Users page in the User Administration dialog displays the users present in the system, which groups
the marked user is a member of and the role the user has.
By default there is one user, the Administrator which is member of the groups Everyone and
Administrators.
To add a new user, do as follows:
1. Click New.
2. Enter the User name and password, for a Normal user or a Domain user. A normal Normal
user is authenticated by BioPAT® SIMCA-online using the specified password. A domain
Domain user is authenticated using Active Directory services. When selecting to add a domain
user, the Distinguished name needs to be specified.
3. Click OK and in the Users page, specify the groups the new user should be a member of.
4. Repeat this procedure as needed.
In case you misplace the master administrator password, contact Sartorius-Stedim support.
Groups page
The Groups page in the User Administration dialog displays the groups present in the system and which
members the marked group has.
By default there are two groups, Everyone and Administrators, both with one member: Administrator.
To add a new group, do as follows:
1. Click New.
2. Enter the new group Name in the Add Group dialog and click OK.
3. Repeat this procedure as needed.
29
®
BioPAT SIMCA-online User Guide
Using groups
When groups have been specified, access rights can be specified using the Access rights button in the
Project Administration dialog.
Roles page
The Roles page in the User Administration dialog displays the available roles and their permissions.
By default there are two roles present, Administrator and User, and the possible Permissions:
x alarm management - alarms can be reset.
x configuration management - the Project administration is available for adding and updating
configurations.
x extract data - extracting data using File | Extract.
x note management - notes can be added and removed.
x out limits - out limits can be specified.
x purge configurations - configurations can be permanently removed.
x user administration - can add/remove users, change/add/remove roles and groups of users and
modify permissions.
x workspace management - can add and remove workspaces.
By default the Administrator has all the permissions and the User has none.
Change permissions for the marked role by selecting or clearing the Permission check boxes.
To add a new role, do as follows:
1. Click New.
2. Enter the new role Name in the Add Role dialog and click OK.
3. Repeat this procedure as needed.
30
File
Note: All events are accompanied by date and time. All events but the first 4 in the list below are
accompanied by a session ID. Project ID includes the project name.
FolderID,
The folder <folder name>
5. folder_created ParentFolderID,
has been created.
FolderName
31
®
BioPAT SIMCA-online User Guide
<configuration name>,
19. configuration_restored which was previously ConfigurationID
deleted, has been restored.
<configuration name>,
which was previously
20. configuration_purged ConfigurationID
deleted, has been
permanently deleted.
ConfigurationID, version
<configuration name> has
22. configuration_updated and comment added to
been changed.
summary.
32
File
For details about the interface, see the Audit trail toolbar features subsection in the View chapter.
Close
To close the current project in the BioPAT® SIMCA-online Client, click File | Close.
33
®
BioPAT SIMCA-online User Guide
®
BioPAT SIMCA-online options
In the BioPAT® SIMCA-online Options dialog various options for the Client are available. An
explanation to each option is displayed at the bottom of the window when an option is clicked. The options
are organized in two tabs:
x General
x Plot options
34
File
Rolling view – When enabled, rolling view behaves as a screen saver, and is activated after a given
number of seconds (default 60) if the user doesn’t move the mouse or press a key on the keyboard. When
Rolling view is selected the client will loop through all open workspace tabs at a given interval, by default
15 seconds.
Plot options
Use File | BioPAT® SIMCA-online options to view or change:
x Limit settings in Plot defaults.
x Batch control chart settings in Plot defaults - batch evolution.
x Batch level plot defaults in Plot defaults - batch level.
x The Identifiers to be listed in plots and lists
x The Batches box content in the Properties group.
Plot defaults
Plot defaults general for regular project models, BEM and BLM are found in the Plot defaults section.
35
®
BioPAT SIMCA-online User Guide
Layout
In the Layout box, select to default display the batch evolution control charts by Units or by Phases. See
also the Layout box section in the Home chapter.
Automatic zooming
Select the Automatic zooming check box to automatically zoom in the subplot displaying the phase of the
currently active batch. Note that this option requires that Phases is selected in the Layout box. Note that
automatic zooming cannot be selected in the properties of the individual plot.
Show recent batches
Select to display respective not display recent batches by selecting respective clearing the Show recent
batches check box.
How many batches are considered recent is specified in the configuration.
36
File
Layout
In the Layout box, select for the plots to display Individual models or Combined by default.
Show recent batches
Select to display respective not display recent batches by selecting respective clearing the Show recent
batches check box.
How many batches are considered recent is specified in the configuration.
Show significance limits
Select to display the significant limits in the score scatter plot, DModX plot, and Hotelling's T2Range plot
by selecting the Show significance limits check box.
Significance level
In the Significance level field enter the significance level to use in the score scatter plot, DModX plot, and
Hotelling's T2Range plot.
Show standard deviation limits
Select to display the standard deviation limits in the score plot displaying one component by selecting the
Show standard deviation limits check box.
Number of standard deviations
In the Number of standard deviations field, enter the number of standard deviations to display in the
score plot displaying one component.
Show subheader
Select the Show subheader check box to display the subheaders in all plots.
Identifiers
Select the way you want variable and batch identifiers to be displayed in plots and lists. The details of the
variable and batch IDs are displayed in the header row.
Variable ID
For regular projects
x In the Variable ID box select:
a. One of the available IDs to display the primary or secondary ID as in BioPAT® SIMCA.
b. Alias to display the Alias specified in the project configuration.
37
®
BioPAT SIMCA-online User Guide
x Use the Start at and Length fields to define which part of the names to display.
For information about how to specify aliases, see the Tags page in Configure dialog subsection in the
Project administration chapter.
Batch evolution
In the Batch evolution section
x In the Variable ID box select:
a. One of the available IDs to display the primary or secondary ID as in BioPAT® SIMCA.
b. Alias to display the aliases specified in the project configuration.
x Use the Start at and Length fields to define which part of the names to display.
For information about how to specify aliases, see the Phase tags page in Configure dialog subsection in
the Project administration chapter.
Batch level
In the Batch level section
x In the Variable ID box, select:
a. One of the available IDs to display as listed in the dataset spreadsheet in BioPAT®
SIMCA.
b. Phase to display the phase ID.
c. Maturity to display the maturity of the variable. When the batch level holds summary
variables, the maturity is the name of the function, for instance MIN or MAX.
d. Source to display the source of the batch level variable, for instance t[1] or variable id.
x Use the Start at and Length fields to define which part of the names to display.
Batch ID
For batch level plots displaying the batch ID, use the Start at and Length fields to define which part of
the identifiers to display.
Batches box
The active batches are always by default displayed.
In the Batches box section, select the batches to be displayed in the Batches box in the Properties group
on the Home tab:
1. Active batches are always displayed.
2. Select whether to Include recent batches. The number of batches considered recent is specified
in the configuration.
3. Select whether to Include workset batches. When the Include workset batches check box is
selected the button is available. Click the browse-button and select which of the workset
batches to display. By default all workset batches are included.
38
File
Note: Multi selection is available in the Select Batches dialog. Consequently, if you mark several batches
and then select or clear one of them, all marked batches will be selected or cleared.
®
Exit BioPAT SIMCA-online
To close the BioPAT® SIMCA-online Client, click File | Exit BioPAT® SIMCA-online.
39
Quick Access Toolbar
Introduction
The Quick Access Toolbar is by default positioned at the top above the tabs and allows you to have your
favorite commands easily accessible. The Quick Access Toolbar is standard in Windows software with
ribbons.
The Quick Access Toolbar in BioPAT® SIMCA default displays the following features:
x Open (Ctrl+O) - to open a configuration or workspace.
x Project administration - to open the Project Administration dialog.
x Copy (Ctrl+C) - to copy the active plot or selection.
41
®
BioPAT SIMCA-online User Guide
42
Home
Introduction
The Home tab holds the commands most commonly used. On the Home tab you can:
x Create plots for batch and regular projects.
x Change the properties of the active plot in the Properties group.
x If you have the right privileges: View or update the configuration, Repredict data, and Delete
predicted data in Manage data. For details, see the Modifying configuration section in the
Project administration chapter.
All plots, except for the variable plots, display predicted values.
Batch
On the Home tab, view/update the configuration, select the plots to display, and change the properties of
the open plot. All plots, except for those displaying individual variables, display predicted values.
There are four groups on the Home tab:
x Manage with Configuration, Repredict data and Delete predicted data. Only available for
users with configuration management permissions.
x The Batch evolution plots group with the available batch evolution plots.
x The Batch level plots group with the available batch level plots.
x The Properties group which allows changing the properties of the active plot.
43
®
BioPAT SIMCA-online User Guide
For more, see the Plot defaults subsections in the BioPAT® SIMCA-online Options section in the File
chapter.
DModX
Batch Evolution control chart of the distance to the model, DModX, after the last component.
Hotelling’s T2Range
Batch Evolution control chart of Hotelling’s T2Range. The default is to display from component 1 to the
last component.
Variable
Batch Evolution control chart of the individual variables. By default the first variable available is
displayed.
Use the Variable box in the Properties group on the Home tab to switch variables.
44
Home
Dual variable
Batch Evolution control chart of two variables. By default the first and second variables available are
displayed.
Use the Variable boxes in the Properties group on the Home tab to switch variables.
The plot is opened by clicking Variable and then Dual Variable in the Batch evolution plots group on
the Home tab.
Y Predicted
Batch Evolution control chart of predicted maturity (Y).
45
®
BioPAT SIMCA-online User Guide
The plot is opened by clicking Score and then Score Scatter in the Batch level plots group on the Home
tab.
DModX
The Batch Level DModX plot is a scatter plot displaying the distance to model after the last component.
DModX is proportional to the RSD (Residual Standard Deviation) of batches in the X space.
The plot can be displayed Combined (default) and as Individual models using the Layout box to switch.
Figure: Batch Level Distance to Model X plot Combined
46
Home
Hotelling’s T2
The Batch Level Hotelling’s T2Range plot is a scatter plot displaying the distance from the origin in the
model plane (score space) for each selected batch. The default is to display from component 1 to the last
component.
The plot can be displayed Combined (default) and as Individual models using the Layout box to switch.
Figure: Batch Level Hotelling's T2Range plot Combined
Variable plot
The Batch Level Variable plot is a scatter plot displaying the selected variable. By default the first
variable in the variable list is displayed.
Use the Variable box in the Properties group on the Home tab to switch variables.
The plot can be displayed Combined (default) and as Individual models using the Layout box to switch.
Figure: Batch Level Variable plot Combined.
Y Predicted
The Batch Level Y Predicted plot is a scatter plot, default displaying the predictions of the first y-
variable.
The plot can be displayed Combined (default) and as Individual models using the Layout box to switch.
Figure: Batch Level Y Predicted plot Combined.
47
®
BioPAT SIMCA-online User Guide
The confidence intervals displayed in this plot were derived from Jack-knifing. For details about Jack-
knifing, see the BioPAT® SIMCA user guide.
All Y Predicted
The Batch Level All Y Predicted plot displays the predictions of all y-variables in the same plot. The
predictions of all y-variables are displayed for each batch in this plot.
Figure: Batch Level All Y Predicted plot.
The plot is opened by clicking Y Predicted and then All Y Predicted in the Batch level plots group on
the Home tab.
Empty instead of plot
When the space where you expected a plot is empty, the reason is one of the following:
x There is no data to display.
x The plot cannot be displayed since some of the necessary variables and/or components are
missing. Can happen for subplots.
x The x-axis annotation is too large.
To switch variable or component, use the Properties group.
Properties group
Use the Properties group to change the relevant parameters of the plot, such as variables, components,
batches and layout.
Access the properties by using the arrow keys on your keyboard. Pressing:
x UP and DOWN switches the component or variable in the first property box for the next or
previous.
x RIGHT and LEFT switches the content of the second property box for the next or previous.
x PAGE UP and PAGE DOWN switches the content of the third property box for the next or
previous.
Customize the display of the active batch plot by
x changing the properties in the displayed boxes
48
Home
x opening the Properties dialog using one of the methods described in the Plot Properties section
later in this chapter.
For other and more customization, see the sections Plot Properties later in this chapter and Format Plot
in the Customizing plots chapter.
Note: The selected change will affect only the active plot. If you want to customize the default settings for
the plots, click File | BioPAT® SIMCA-online options.
Batches box
Select from the Batches box the batches to display in the active plot. The Batches box is available for all
plots for batch evolution and batch level models.
Note: Any specific batch selected from the Batches box is referred to as a reference batch. You can select
to display several reference batches.
The component to display for the Distance to Model X plots cannot be changed. The DModX plot is
always displayed after the last component of the model. The Y Predicted plot is displayed using all
components.
49
®
BioPAT SIMCA-online User Guide
Selecting variables
When the active plot is a Variable plot, or a Y Predicted plot from batch level, the Variable box displays
the list of available variables.
When the active plot is a Dual Variable plot for a batch evolution model, an additional variable box,
Variable 2, displays the list of available variables.
Click the Variable box and select the desired variable.
When displaying the plot by Phase the phases are displayed one after the other from left to right in the
model order.
When displaying the plot by Unit the cells are displayed to visualize the system at hand.
See also the Plot defaults - batch evolution subsection in the BioPAT® SIMCA-online options section
in the File chapter.
Layout for batch level plots
In the Layout box, select whether to view the plot as Individual models (default) or Combined in one
plot.
When the plot displays Individual models (subplots), the predictions for each batch level model are
displayed in one plot.
When displaying the plot Combined, the plot is reorganized to display the predictions for all models for
each batch. The batches are displayed on the x-axis, one after the other from left to right, in the order the
batches were executed.
See also the Plot defaults - batch level subsection in the BioPAT® SIMCA-online options section in the
File chapter.
Individual models
Combined
50
Home
Plot Properties
Use the Plot Properties dialog to customize what is displayed in the current plot.
The Plot Properties dialog the current plot is opened by:
x clicking the plot and clicking Properties in the mini-toolbar.
x clicking the Properties group dialog dispatch launcher on the Home tab or
x right-clicking the plot and clicking Properties.
The Plot Properties dialog can have the following tabs: Select batches, Plot options and Selected
observations (contribution plot only).
These tabs are described in the sections that follow.
For other customization, see the section Customizing plots chapter.
Note: The selected change will affect only the active plot. If you want to customize the default settings for
the plots, click File | BioPAT® SIMCA-online options.
Plot options
The Plot options tab has a number of options depending on the open plot. .
Show alarm limits
To show or hide the alarm limits of the current plot, select or clear the Show alarm limits check box. To
show or hide the alarm limits by default, see the BioPAT® SIMCA-online options section in the File
chapter.
Note: When displaying plots by clicking in the Overview window, the created plots always display the
alarm limits.
Show annotations
To display an envelope icon for points or batches for which a note has been entered, select the Show
annotations check box.
Read how to specify notes in the Add note subsection in the Tools chapter.
Show subheader
To hide or display the subheaders in the subplots, the Show subheader check box has to be cleared or
selected.
Control limits for batch evolution plots
51
®
BioPAT SIMCA-online User Guide
In Control limits, select the limits to display: +3, +2, +1, -1, -2, -3 std. dev. (standard deviations), Average
(batch). Default is to display +3 standard deviations and the Average. The current selection is displayed on
the header row.
To add/change limits to choose from, see the Control limits subsection in the Project administration
chapter.
Show significance limits for batch level plots
Select to display or hide limits in the current plot by selecting or clearing the Show significance limit
check box. To change the significance level from the default 0.01, enter a new value in the Significance
level field, available when the Show significance limits check box is selected
This feature is available for the batch level DModX and Hotelling's T2Range plots.
Show standard deviation limits for batch level score plot
Select to display or hide limits in the batch level score plot by selecting or clearing the Show standard
deviation limits check box.
To change the number of standard deviations, by default '3', enter a new number in the Number of
standard deviations field, available when the Show standard deviation limits check box is selected.
Plot options for Contribution
In the Plot Properties dialog of the Contribution plot there is a Selected observations page, a Plot
options page with the Sort feature described here and for continuous a Time page.
52
Home
Selected observations
Contribution plots are displayed for one point/group of points versus another point/group of
points/average.
In the case with groups, use the Selected observations page to see which points were included in the
group.
Regular
On the Home tab, view/update the configuration, select the plots to display, and change the properties of
the open plot. All plots, except for those displaying individual variables, display predicted values.
The number of observations displayed is specified in the Configure dialog on the Time ranges page.
There are four groups on the Home tab:
x Manage with Configuration and Repredict data. Only available for users with configuration
management permissions.
x The Trend plots group with the available predefined trend plots.
x The Custom plots group with the fully customizable trend and scatter plots.
x The Properties group which allows stepping backwards and forwards or pause the active plot.
Worm plot
The Worm Plot displays:
x Scores, default t1 vs. t2, as a line plot.
x Head (larger circle) of the worm (line).
x The workset observations.
x Hotelling’s T2 ellipse.
Scores
Trend plot displaying scores (T). The default is to display t[1].
53
®
BioPAT SIMCA-online User Guide
DModX
Trend plot of the distance to the model, DModX, after the last component.
From the DModX menu, the trend plots for DModX+, PModX and PModX+ can be displayed.
PModX
Trend plot of the probability that each point belongs to the model. Available both for regular PModX and
PModX+.
Display the PModX and PModX+ plots by clicking DModX and the respective vector name.
Hotelling's T2Range
Trend plot of Hotelling's T2Range. The default is to display from component 1 to the last component.
For OPLS this plot is unavailable.
54
Home
Y Predicted
Trend plot of observed and predicted y-variables. By default the first y-variable is displayed.
See also the Data vectors and Plot options subsections later in this chapter.
Custom plots
Use Trend and Scatter to create plots using any combination of vectors. Trend and Scatter are found in
the Custom plots group on the Home tab for regular projects.
When clicking Trend or Scatter a dialog opens allowing you to select which vectors to plot.
Identifiers are displayed according to plot defaults in BioPAT® SIMCA-online options.
Note: To switch component or variable, click the (blue) number/variable ID and select another one.
Properties group
The Properties group for continuous processes contains the stepping buttons and the Pause button.
Pausing affects only the current plot and not the execution as such. Stepping is done in steps of 10% of the
total window length.
55
®
BioPAT SIMCA-online User Guide
Note: Changes in options in the Plot Properties dialog apply to the current plot only. When opening a new
plot, the Properties settings are reset to default. To change for future plots, change in Plot options in the
File | BioPAT® SIMCA-online Options dialog.
Note: When displaying plots by clicking in the Overview window, the created plots always display the
alarm limits.
56
Home
Selected observations
Contribution plots are displayed for one point/group of points versus another point/group of
points/average.
In the case with groups, use the Selected observations page to see which points were included in the
group.
Data vectors
In the Data vectors page you can change vectors to display, remove vectors, add new vectors, and change
components. .
Actions available:
57
View
Introduction
On the View tab, find following features:
x Data list.
x Show/Hide group with Project info, Overview, Log, Plot details, Status bar, Tabs and Full
screen.
x Open group with Configuration audit trail, Client log, and Report.
x Window arrangements in the Window group including Save workspace.
Data list
The data in the internal database can be listed by clicking Data list on the View tab.
In the dialog that appears, select the data to display in the spreadsheet using the From and To date and
time fields. For batch projects you can also select among the batches listed for the specified interval.
In the table below, the content of the tabs in the created list are described.
Sheet What is listed
Batch Evolution Original measured variables plus the computed parameters, scores,
Data DModX, etc available in the selected batch evolution model.
Batch Level Original measured variables plus the computed parameters, scores,
Data DModX, etc available in the selected batch level model.
Local Centering Local centering data used in the selected batch evolution model.
Data
Show or hide
The Show or hide group includes the following features:
x The dockable windows Project info, Overview, Log and Plot details.
x The Status bar check box.
x The Tabs check box.
x Full screen
59
®
BioPAT SIMCA-online User Guide
Project info
The Project info dockable window displays, the project name, the projects original location, the time the
project was added to the Server, and whether the execution is On or Off for each open project.
The Project info dockable window is opened by selecting the Project info check box in the Show or hide
group on the View tab.
Log
The Log dockable window displays:
x Administrator actions, such as log on or off.
x Project failures, such as failing to initialize, to connect, or to create a data source.
x If the processor works at high load, this is also logged here.
x A license reminder message when the license is about to expire.
The Log dockable window is opened by selecting the Log check box in the Show or hide group on the
View tab.
Status bar
The Status bar, found at the bottom of the screen, displays a description, coordinates, and connection
status for the server.
In the table, see which type of information and where in the Status bar it is displayed:
Action Position Displays
Marking a menu item Left The description of a menu item or button. When nothing is marked
(for ex. File | Print) the Status bar displays 'Ready'
or hovering over a When holding the cursor over Print.
button.
None. Right The user currently logged on and the status of the connection to the
server (Connected/Disconnected/Server busy).
Overview
The Overview dockable window displays the status of the active batch or execution.
The header row displays the batch ID/execution start time, and current overall status for the
batch/execution: OKAY and green when no alarm has been triggered, WARNING (yellow) and
CRITICAL (red) when the respective alarm has been triggered.
Below the header row the Start and Stop times are displayed. If the batch/execution is still active, the stop
time is Active.
Each model is represented by a color coded box with its model number and title, or for phases, phase ID.
The box is green when there is an active batch or execution but no alarm has been triggered, yellow when
a warning alarm has been triggered, red when a critical alarm has been triggered, and uncolored before
data has reached that model.
60
View
The progress of an active batch can be followed through these color coded boxes to completion.
Note: For phases with normalized maturity, alarms are displayed during the evolution of the batch, but
are not final until after phase completion.
When clicking one of the models, Reset alarms, Display triggered alarms and Display configured
alarms are displayed.
Reset alarms returns the color for the model to green until the next alarm is triggered.
Display triggered alarms opens the triggered vectors zoomed in on the subplot with the triggered alarm
for the model. These plots also display the specified alarm limits, warning limits in yellow and critical
limits in red.
Display configured alarms opens plots displaying all alarms specified in the configuration. These plots
also display the specified alarm limits, warning limits in yellow and critical limits in red.
In the Alarm visualization section next, see details about the visualization of the alarms.
See also the Adding alarms section in the Project Administration chapter.
Alarm visualization
When alarms are specified, triggered alarms are displayed in:
x Overview window.
x Plots displaying the vector with the specified alarm.
x Plot Details window when a plot with a triggered alarm is active.
x The Report window.
The table describes the color coding and symbols displayed concerning alarms.
Alarm Overview window color Plot, Plot Details and
Report
No alarm triggered and the Uncolored Plots display nothing, Plot Details
model is not executing displays No alarms or notes and the
Report displays:
No alarm triggered and the Green Plots display the default plot
model is currently symbols, Plot Details displays No
executing alarms or notes and the Report
displays:
Note: After resetting an alarm the Overview window again displays a green box while the plots, Plot
Details window and the Report display the symbol for reset alarms.
61
®
BioPAT SIMCA-online User Guide
Plot Details
The Plot Details dockable window displays all triggered alarms and all notes present in the active plot.
In the Plot Details window you can reset alarms and edit notes by double-clicking the respective rows.
You can also delete notes by marking and pressing DELETE.
Tabs
To display or hide tabs for all open project configurations or windows, on the View tab, in the Show or
hide group select the Tabs check box.
Whether the tabs show project configurations or all windows depends on the settings in File | BioPAT®
SIMCA-online Options under the Interface header in the General tab.
The tabs are color coded signaling status. In the example below:
x The left configuration is not receiving data, thus the tab is uncolored.
x For the middle one a critical alarm was triggered, thus the tab is colored red. When a warning
alarm has been triggered the tab is colored yellow.
x The right configuration is running and no alarms have been triggered, thus colored green.
When selecting to display the individual windows, all windows are colored according to the description
above for the configuration they were created from.
Full screen
To maximize the plot area, leaving only the minimized ribbon and the plot area, on the View tab, click
Full screen. To return to normal, again click Full screen.
Open
The Configuration audit trail, Client log, and Report are all available in the Open group on the View
tab.
62
View
The execution of
UserSessionID,
2. execution_started <configuration name>
ExecutionID
has started.
The execution of
UserSessionID,
3. execution_stopped <configuration name>
ExecutionID
has stopped.
The execution of
<configuration name>
4. execution_resumed has resumed (started ExecutionID
again after being
stopped).
The execution of
<configuration name>
was interrupted, for
5. execution_aborted ExecutionID
instance error when
reading from external
data source.
UserSessionID, Severity,
NoteID, note text and point
A note has been created
14. note_created ID (Batch ID, Phase
at with <content>.
Number, time point) added
to summary.
UserSessionID, Severity,
NoteID, note text and point
<note ID> has been
15. note_deleted ID (Batch ID, Phase
deleted.
Number, time point) added
to summary.
UserSessionID, Severity,
<note ID> has been NoteID, note text and point
16. note_updated updated to hold ID (Batch ID, Phase
<content>. Number, time point) added
to summary.
63
®
BioPAT SIMCA-online User Guide
TriggeredAlarmID,
The alarm <triggered
Severity, vector, point ID
alarm ID> has been
18. alarm_elevated (Batch ID, Phase Number,
elevated to critical for
time point) added to
<vector>.
summary.
UserSessionID,
TriggeredAlarmID,
The alarm <triggered Severity, vector, point ID
19. alarm_reset alarm ID> has been (Batch ID, Phase Number,
reset for <vector>. time point) and user
entered reset-comment
added to summary.
In the audit trail, use the toolbar to organize, select range, compare configuration versions, view
configurations, roll back to a previous version of a configuration and filter search.
The table describes the different features available for batch and regular projects.
Toolbar features Result
Organize - see the Organize in the audit trails subsection later in this chapter.
Select the event to start from. Negative values indicate how many
From
events backing up from the value in To to back up.
To The last event displayed. Last means the last event at all times.
Roll back Creates a new version with the content of the marked version.
The content of the audit trail is filtered to only display rows matching the
Filter field
filter field.
Organize
In the Organize button the following features are available:
x Show system events - In addition to showing regular events, system events are displayed.
x Show details - Displays details of the events currently displayed in the audit trail.
x Field chooser - displays the columns currently not displayed in the audit trail. Drag headers from
the Field chooser to the audit trail to add columns. To remove a column, drag the header down
from the header row.
x Copy - is available when something is marked in the audit trail and then copies the selection.
x Select all - selects all contents of the audit trail thus allowing all contents to be copied.
x Expand all groups - expands all groups when some or all collapsed. Groups are created by
dragging a header to the area above the headers.
x Collapse all groups - collapses all groups in the case when some or all are expanded. Groups are
created by dragging a header to the area above the headers.
Client log
The Client log lists information such as:
- Connection/disconnection to server.
64
View
Report
The Report displays a summary of all triggered alarms and notes, in the current configuration for the
selected time period/batches.
In the Report you can reset alarms and add, edit and remove notes.
Note: After resetting alarms or adding/editing/removing notes, you have to refresh to see modifications.
Drag a column header above the header row to group by that property.
Group The report for batch configurations is grouped by batch and model by
default.
The table describes the different features available for batch and regular projects.
Toolbar features Result
Organize - see the Organize subsection later in this section.
65
®
BioPAT SIMCA-online User Guide
Adding notes
Notes can be added to a point marked in a plot or in the Report as follows:
x Plot: mark a point and click Add note:
x in the mini-toolbar,
x in the Marked items group on the Tools tab or
x on the shortcut menu.
x Report: mark the row and click Add note in the toolbar or in the shortcut menu.
When adding a note the following dialog appears.
In the Add Note: Specify Severity and Text dialog, select the Severity level, and enter the text for the
note in the Comment field.
The Severity levels available are: Low, Medium (default), or High where they result in different note
symbols in the plot, in the Plot Details window, and in the Report:
x Low -
x Medium -
x High -
Editing notes
To modify a note use one of the following methods:
x In the plot, mark the point with the note and click Add note.
x In the Report, mark the note and click Edit note in the toolbar.
x In the Plot Details window, double-click the note.
Deleting notes
To remove a note use one of the following methods:
x Mark the note in the Report and click Delete note in the toolbar.
x In the Plot Details window, mark the note and press DELETE on your keyboard.
Adding Note in Note wizard
Notes can also be added to a batch, phase model, batch level model or observation using a wizard in the
Report.
To add a note to an entire batch:
1. In the Report mark a row that does not relate to maturity.
2. Click the Add note-button.
3. In the Add Note: Select Note Type window, select Batch, Phase/Model, or Observation.
a. With Batch selected you must select a batch.
b. With Phase selected you must select a batch and a phase or batch level model.
c. With Observation selected you must select a batch, a phase, and an observation.
4. After stepping through the wizard making selections according to step 3 the Add Note: Specify
Severity and Text page opens allowing you to enter severity and text. For more about this page,
see the Add note subsection earlier in this chapter.
66
View
Reset alarms
Triggered alarms can be reset in three places:
x In the Overview window by clicking the model with the triggered alarm and clicking Reset
alarms in the menu.
x In the Plot Details window by double-clicking the triggered alarm.
x In the Report by marking a triggered alarm row and clicking the Reset alarms button in the
toolbar.
In the Reset Alarms dialog the user must enter a text in the Comment field to enable the Reset button.
Note: Save layout does not save changes to the selection in Organize.
67
®
BioPAT SIMCA-online User Guide
To add columns, use the Organize | Field chooser from the toolbar, or Columns on the shortcut menu. To
remove columns, just drag the column from the header row.
The default layout is different depending on whether the project is batch or regular, but the columns
available are the same.
Column Description and illustration
Icon signaling severity:
- reset alarm:
Type - an alarm:
- a note:
Model Model name from SIMCA, for instance "M1, Process under control".
Vector Vector that the alarm was triggered in, for instance 'YPred'.
Batch specific
Batch Batch ID from the external database
Batch start time Start time, in the external database, for the batch.
Batch stop time Stop time, in the external database, for the batch.
Phase start time Start time, in the external database, for the phase.
Phase stop time Stop time, in the external database, for the phase.
Window group
The Window group contains the window commands Cascade, Tile horizontally, Tile vertically, Close,
Save workspace and Switch windows. Clicking the Window group dialog box launcher opens the
Arrange Windows dialog.
68
View
Save workspace
The configuration of the Client's open projects and plots can be saved as a workspace. All workspaces are
saved on the Server. Workspaces can be opened by any user, while only an administrator with
workspace management permissions can save or delete workspaces.
To save a workspace, open the projects and plots that you want the workspace to contain, on the View tab,
in the Window group, click Save workspace, give the workspace a unique name, and then click Save.
69
Tools
Introduction
The Tools tab holds the buttons: Select, Zoom, Zoom out, Sort, Drill down, Add note, Create list, and
Save as.
Note: To keep the marked points marked, while marking new points, hold down CTRL. The marked points
then belong to the same group of marked items.
Deselecting/unmarking points
To deselect points in a plot, click a white area in the plot.
To deselect points in a list, mark the first row.
Zoom
To zoom in a plot, click the Zoom tool in the Zoom group. By default Zoom in is selected.
71
®
BioPAT SIMCA-online User Guide
Use the Zoom menu to select the type of zoom from the drop down menu:
x Zoom in: Magnifies a rectangular region
x Zoom X: Magnifies a region along the x-axis
x Zoom Y: Magnifies a region along the y-axis
x Zoom subplot: Magnifies a subplot in a multi-plot display.
Then mark the desired region, or subplot, of the plot to zoom.
Note: With any zooming type selected, double-clicking a subplot automatically zooms the subplot.
Zooming out
Click Zoom out to revert zoom to original scale in the steps taken when zooming.
Sort
The contribution column plots can be sorted ascending or descending.
To sort
1. Open the contribution plot.
2. On the Tools tab, click Sort.
The resulting plot is sorted by absolute value with the largest absolute column to the left.
By clicking the Sort arrow, you can select to:
x Sort by absolute value (default when clicking Sort) - see above.
x Sort by value - leaving the plot sorted with the largest positive column to the left and the
smallest value to the right.
x Sort by name - leaving the plot sorted alphabetically using the displayed variable ID.
x Original sort order - reverting the sorting to standard order, that is, the variables are displayed in
the same order as the BioPAT® SIMCA workset.
Drill down
The Drill down button becomes available in the Marked Items group, on the Tools tab, after marking one
or more points.
The table lists, the different results possible when using the Drill down button.
Marked points Drill down result
Time points for regular or batch A contribution plot.
evolution.
Batch points in batch level. A contribution plot of the points vs. average batch.
72
Tools
One point compared Click on one point and then on the other. Note that they are
with another point. marked in different colors. Click the Drill down button.
A group of points Mark all points in the group by circling them or by holding down
compared to the the CTRL key and clicking the points. Then click the Drill down
average. button.
One point compared Mark all points in the group by circling them and then click the
to a group of points. single time point (without holding down the CTRL key). Click
the Drill down button.
A group of points Mark all points in the first group by circling them or by holding
compared to down the CTRL key and clicking the points. Then mark all points
another group of in the second group by circling them or by holding down the
points. CTRL key and clicking the points. Click the Drill down button.
Note: When marking a group of points and then clicking Drill down, the Select Observations dialog
opens. To not include all points when calculating the contribution plot, clear the relevant boxes.
73
®
BioPAT SIMCA-online User Guide
The contribution plot displays the difference between the variables of the active batch at the selected time
point and the variables of the average batch at that same time point, weighted by the loading p of the
corresponding dimension.
The contribution plot shows the variables residuals for the selected time point weighted by the variable
importance in the model RX.
Trend plot
Double-click a variable to display its trend plot.
74
Tools
The contribution plot shows the deviations for the selected time point weighted by the loading p of the
corresponding dimensions.
Trend plot
Double-click a variable to display its trend plot.
75
®
BioPAT SIMCA-online User Guide
The contribution plot shows the deviations for the selected time point weighted by CoeffCS.
Trend plot
Double-click a variable to display its trend plot.
76
Tools
3. Click Drill down in the Marked items group on the Tools tab.
The batch level score contribution plot shows the difference in the X variables between the selected batch
and the model center, weighted by the loadings p[1] & p[2] for PCA and w*[1] & w*[2] for PLS.
The batch level DModX contribution plot shows the variable residuals for the selected batch weighted by
the variable importance in the model RX.
77
®
BioPAT SIMCA-online User Guide
The batch level Hotelling's T2Range contribution plot shows the deviations for the selected batch
weighted by the loading p of the corresponding dimensions.
The contribution plot shows the deviations for the selected batch weighted by CoeffCS.
78
Tools
One point compared Mark one point and then the other. Note that they are marked in
with another point. different colors. Click the Drill down button.
A group of points Mark all points in the group by circling them or by holding down
compared to the the CTRL key and clicking the points. Then click the Drill down
average. button.
One point compared Mark all points in the group by circling them and then click the
to a group of points. single time point (without holding down the CTRL key). Click the
Drill down button.
A group of points Mark all points in the first group by circling them or by holding
compared to down the CTRL key and clicking the points. Then mark all points
another group of in the second group by circling them or by holding down the
points. CTRL key and clicking the points. Click the Drill down button.
Note: In the DModX contribution plot, the columns indicate the deviations from the normal correlation
structure (model), NOT from the average point or another reference point. The dominating columns
indicate which variables deviate most from the correlation structure, and the sign of the column (down =
minus and up = plus) indicate in which direction the variables deviate.
79
®
BioPAT SIMCA-online User Guide
The contribution plot displays the difference between the variables of the marked point and the variables at
the workset average, weighted by the loading w* of the corresponding dimension.
80
Tools
The contribution plot shows the variables residuals for the selected point weighted by the variable
importance in the model RX.
Note: When DModX+ is displayed in the plot, the resulting plot is a plot displaying Hotelling's T2Range
and DModX since these plots reveal which of the two, if not both, is responsible for the deviating
observation.
The contribution plot shows the deviations for the selected time point weighted by the loading w* of the
corresponding dimensions.
Trend plot
81
®
BioPAT SIMCA-online User Guide
The contribution plot shows the deviations for the selected point weighted by CoeffCS.
Note: For models with only one y-variable, w*[1] is used as weight in the contribution plot.
Adding notes
Notes can be added to a point marked in a plot or in the Report as follows:
x Plot: mark a point and click Add note:
x in the mini-toolbar,
x in the Marked items group on the Tools tab or
x on the shortcut menu.
x Report: mark the row and click Add note in the toolbar or in the shortcut menu.
When adding a note the following dialog appears.
82
Tools
In the Add Note: Specify Severity and Text dialog, select the Severity level, and enter the text for the
note in the Comment field.
The Severity levels available are: Low, Medium (default), or High where they result in different note
symbols in the plot, in the Plot Details window, and in the Report:
x Low -
x Medium -
x High -
Editing notes
To modify a note use one of the following methods:
x In the plot, mark the point with the note and click Add note.
x In the Report, mark the note and click Edit note in the toolbar.
x In the Plot Details window, double-click the note.
Deleting notes
To remove a note use one of the following methods:
x Mark the note in the Report and click Delete note in the toolbar.
x In the Plot Details window, mark the note and press DELETE on your keyboard.
Create list
The data in each plot can be displayed as a list with tabs by clicking Create list on the Tools tab. This list
includes data for dynamic limits.
For multiplots, the data from each subplot is found in a tab named by the phase ID.
Note: Creating a list can also be done by pressing CTRL+L or right-clicking the plot and clicking Create
list.
Save as
On the Tools tab, click Save as to save the active plot or list to a specific file name and path.
83
®
BioPAT SIMCA-online User Guide
Plots can be saved as Bitmap files (*.bmp), EMF files (*.emf), JPEG files (*.jpg), or PNG files (*.png).
Lists can be saved as DIF Files (*.dif), Matlab Files (*.mat), or Text Files (*.txt).
To save a plot:
1. Display it and make sure it is active.
2. On the Tools tab, click Save as. The Save Plot dialog is displayed.
3. In the Size box you can choose between
- Custom
- A) 600x375 (Suitable for portrait (A4, US Legal, etc.))
- B) 300x300 (Square, fits two side by side)
- C) 600x600 (Square)
- D) 755x465 (Suitable for PowerPoint, one per slide)
- E) 755x270 (PowerPoint, fits two above and below)
- F) 370x465 (PowerPoint, fits two side by side)
- G) 800x600 (4:3 format)
- H) 1024x768 (4:3 format)
- I) 1280x720 (16:9 format, HD 720)
- J) 1920x1080 (16:9 format, HD 1080)
- Original size
4. In the dialog select the Keep aspect ratio check box to keep the proportions of the plot as on the
screen (Original size) or according to a predefined plot size.
5. Click OK when done.
6. Select location, file name, and file type. Click Save.
To save a list:
1. Display it and make sure it is active.
2. On the Tools tab click Save as. The Save dialog is then displayed.
3. Select location, file name, and file type. Click Save.
84
Help
Introduction
The Help menu holds the standard help menu commands. Clicking the ?-button opens the help file, as
does clicking Help | View help.
Support
Click Help | Support to open the Support page on the Sartorius-Stedim website.
85
Project administration
Introduction
In the Project Administration dialog, opened by clicking File | Administration | Project
administration, the projects and configurations currently known to the Server are listed. Users with
configure management privileges can view and change the settings of the Project Administration
dialog.
Organize
In Organize the following features are available:
x Show deleted items - Displays also deleted items that have not been purged.
x New folder - Create a new folder and group configurations/workspaces as desired.
x Delete - Delete the marked configuration or workspace.
x Rename - Rename a configuration, workspace or folder.
x Save workspace - Save the currently open project configurations and plots as a workspace.
87
®
BioPAT SIMCA-online User Guide
Access rights
The Access rights feature controls which folders group members can see and open.
To specify access rights, mark a folder and click Access rights.
Note: Permissions are controlled by the role specified for the individual user in the User administration
dialog.
88
Project administration
To save the configuration for import, on the Export configuration page of the Configure wizard click the
Export configuration button and specify where to save it and under which name.
Importing configuration file from previous version
You can import a .bcg-file from a previous version. However some configurations are not imported.
When converting a SIMCA-P+ batch project with both observation and batch level, the converted project
will rename the batch level models. For instance, in the previous version the batch level model could be
M1, in BioPAT® SIMCA 13 a batch level model can never be M1.
Thus, when importing a .bcg-file created in a previous version, the batch level model settings are not
imported, nor are export settings (write back) or execution intervals for phases.
Batch node
The batch node contains information about start and stop times of the batches.
On the Batch node page, select the node that contains information about the active and historical batches
of the project you are configuring. Then click Next.
If no node is listed here you need to check the SimApi configuration, see the subsection Parameters to
initiate communication with SimApi in the Configuration of the Server section in the Installation and
configuration chapter.
Nodes that are unavailable in the external system are displayed in red. If the external system was started
after the server, stopping the server and restarting it might solve the issue.
89
®
BioPAT SIMCA-online User Guide
The Batch identifier filter field enables batch selection by batch ID. For instance, if the Batch ID contains
the recipe used by the batch, entering that recipe will result in using this selection of batches in the
predictions in BioPAT® SIMCA-online.
Wild card symbols '?', and '*' are allowed in specifying batch IDs. For example “?LH*” selects batches
with IDs such as SLH2 or QLHSW, etc.
Batch evolution
Specifying execution interval for phases
When there are phases in the project, you have to specify the execution interval for each phase in the
Batch evolution page.
The unit of the Execution interval is seconds.
The execution interval is the sampling interval of the BioPAT® SIMCA-online Server, i.e. how often the
Server samples the PDB for batch data and executes the models.
Note: The execution interval in BioPAT® SIMCA-online must be the same as the sampling interval used in
the SIMCA model.
90
Project administration
When enabling the catch-up function by entering a time allowance, the recommendation is to enter a value
that is twice the length of the average batch.
Recent batches
The value in the Recent batch time range field defines batches that are considered recent batches and
thus are displayed when selecting the Recent batches check box in the Batches box and in the Overview
window.
Unit groups
A unit group is a process step, for instance a granulator. The unit group contains one or more identical
units. Each unit is a physical equipment/machine/vessel that processes a batch or sub-batch. A sub-batch
is a part of a batch. Sub-batches are present when an entire batch cannot be processed in a single unit.
Each batch passes through one or more phases.
When a unit group is marked use the Add unit group, Remove unit group and Rename unit group
buttons to organize the unit groups.
When a unit is marked, use the Add unit, Remove unit and Rename unit buttons to organize the units.
If some part of the batch process separates batches in sub-batches, right-click and click Show sub-
batches.
When there are phases in the project, you have to specify in which unit and sub-batch the phase will be
executed by selecting the respective phase check box in that unit group or sub-batch.
Note: Expand all or Collapse all unit groups by right-clicking the dialog box.
91
®
BioPAT SIMCA-online User Guide
When all unit groups, units, and sub-batches have been defined and phases selected, click Next.
Phase conditions
In the Phase conditions page, the tags in BioPAT® SIMCA-online must be connected with the
corresponding tags in the server. For phases, this includes defining all phase conditions.
The following needs to be connected and configured:
x Batch Identifier Tag with the batch identifying variable (Batch ID).
x Optionally Sleep Condition.
x Phase Conditions.
Configuring phase and sleep conditions
The phase conditions have to be configured to enable prediction using the correct phase model. Optionally
you can configure sleep conditions to not include nor display observations satisfying the entered sleep
condition expression.
In the example here, GranulatorPhase1 is running when the G1:Granulator1Phase (the first phase
condition tag) text is equal to P1.
For each phase, mark the phase and click the Configure-button to open the configure condition dialog.
1. In Tag name, select the tag holding the trigger or part of the trigger.
2. Select the type of trigger in Logical expression and enter a value in the Value field.
3. Click the And, Add, or Or button and note that the selected tag trigger is displayed in the
Expression field.
4. Repeat 1-3 to add another condition. If the phase should be triggered when both expressions are
true, click the And button. If the phase should be triggered when either one of the expressions is
true, click the Or button. Under Expression the complex expression is displayed.
5. When done click OK or Next.
Adding sleep triggers is done in the same manner, using the dialog displayed here:
92
Project administration
Value not The numerical tag value does A phase is running when a
equal to not equal the value entered in variable does not equal a certain
Value. value.
Value less The tag value is smaller than A phase is running when a
than the value entered in Value. variable decreases below a
certain value.
Value less The tag value is smaller than, A phase is running when a
than or equal or equal to, the value entered variable decreases to or below a
to in Value. certain value.
Value greater The tag value is greater than A phase is running when a
than the value entered in Value. variable increases above a certain
value.
Value greater The tag value is greater than, A phase is running when a
than or equal or equal to, the value entered variable reaches or increases
to in Value. above a certain value.
Text equal to The tag value equals the text A phase is running when a
entered in Value. variable equals a certain text.
Text not The tag value does not equal A phase is running when a
equal to the text entered in Value. variable does not equal a certain
text.
Text starts The tag starts with the text A phase is running when a
with entered in Value. variable starts with a certain text.
Text ends The tag ends with the text A phase is running when a
with entered in Value. variable ends with a certain text.
Text contains The tag contains the text A phase is running when a
entered in Value. variable contains a certain text.
Value field
In the Value field, enter the value that triggers the phase.
And and Or buttons
When using more than one logical expression to trigger a phase:
x Click the And button when both expressions have to be true to trigger the phase.
x Click the Or button when either expression being true triggers the phase.
Expression field
93
®
BioPAT SIMCA-online User Guide
In the Expression field, the currently added trigger expression is displayed. In addition standard
mathematical and some logical operations are available by typing in this field. For more, click the question
mark.
Phase tags
On the Phase tags page, each variable of each phase from SIMCA has to be associated with the correct
variable from the database.
By default the tag associations are done for <All Phases>. Select a single phase if you want the
associations to apply to that phase only.
To associate:
1. Mark the cell
2. In the list of notes, mark the correct node
3. In the Tags list, double-click the variable.
For all methods to associate tags, see the Associating tags subsection next.
Use Tag filter field above the Tags list to search in the variable list.
Use the shortcut menu to facilitate the association.
After associating variable IDs from the BioPAT® SIMCA models with the tags in the external database,
click Next.
Associating tags
The variables are associated by clicking the cell in the spreadsheet, and then entering the name by one of
the following methods:
1. Double-clicking the variable from the database in the Tags list. Alternatively, right-clicking the
variable in the Tags list and clicking Associate tag.
2. Typing the name.
3. Pasting the name.
Using the Tag filter field
The Tag filter field, found above the Tags list in the dialog, is not case sensitive, meaning that a and A are
perceived as the same character. Typing in the Tag filter field instantly loops the available variables in the
Tags list to match each new character, leaving all variables matching the string marked.
94
Project administration
Shortcut menu
Use the spreadsheet shortcut menu to Copy, Cut, Paste, Select all, Find and replace, Add prefix, or
Add suffix.
Variable aliases
In the Variable aliases page you can optionally specify alternative IDs for your variables.
Note: Identifiers entered in the Alias column are by default displayed in plots and lists.
Local centering
When a phase in your offline model has used local centering, i.e. the variables for batches in that phase
have been centered with values read from a file at import, you can specify tags containing new values for
these variable centers on the Local centering page.
Mark the empty cell in the Tag column and associate with the appropriate variable in the Tags list.
Batches with no values for local centered variables, are centered using the average value for that variable
in the workset.
95
®
BioPAT SIMCA-online User Guide
Target values
On the Target values page, enter low, target, and high limits in the Lo Limit, Target, and Hi Limit cells
respectively. These limits will be displayed in plots but do not trigger alarms when the Alarms cell is left
empty.
Note: For batch projects with phases, you must select for which phase the target values should be
displayed/trigger alarms. By default the target values are displayed/triggered for <All Phases>.
Alarms
Use the Alarms column to let the Target values page not only specify limits to display in plots but also
univariate alarms. You can select:
x Missing - the alarm is triggered when missing value is read for the variable.
x Outside - the alarm is triggered when the read value is either below the Lo Limit or above the Hi
Limit.
x Outside or missing - the alarm is triggered when a missing value is read or the read value is
either below the Lo Limit or above the Hi Limit.
Control limits
In the Control limits page, select which limits to default display in all batch evolution control charts. The
Variable box has a list of the batch evolution variables and a <Default> entry. The limits that you specify
as default will apply to all batch evolution control charts where you have NOT specified individual limits
for the displayed variable.
If you want more, or other, levels than +/- 1, 2, 3 standard deviations, e.g. also 1.5 standard deviations,
click the Add button and enter the limit.
To remove one of the added limits, click the Remove button and type the limit to remove.
96
Project administration
Note: You can always switch limits in an open plot by right-clicking it and selecting Properties.
Vectors
The table below shows the vectors for which alarms can be added.
Vector Component Default Limit
DModX No component. +3 and 4 standard deviations.
Note: Univariate alarms can be added for individual variables in the Target values page.
97
®
BioPAT SIMCA-online User Guide
Adding an alarm
1. In the Phase box, select a phase or leave <All phases> selected.
2. Select Vector and, when applicable, component.
3. Set the Hi Limit and/or HiHi Limit. The Lo Limit and LoLo Limit are automatically filled in as
the negatives of the Hi Limit and HiHi Limit. The HiHi limit must be numerically larger than
the Hi limit.
4. Click Add and note that the alarm is added to the list in the dialog.
Removing an alarm
Mark the alarm, and click Remove.
Updating an alarm
Mark the alarm, change the settings, and then click Update. Update is only available for specific phases,
not for <All phases>.
Note: An alarm can be added for each component for t and for each component combination for T2Range.
Alarm triggers
After specifying the alarms in batch evolution alarms the Alarms page, the Alarm triggers have to be
specified.
Triggers are events that activate the alarm. There are two types of triggers:
x Consecutive activates when X observations in a row are outside the limit.
x Total activates when Y observations are outside the limit during a phase.
The default values for X and Y are 3 and 10 respectively. To change these values, enter new values in the
Consecutive and Total columns.
Note: Alarm triggers cannot be left empty when alarms have been specified.
Write back
The PDB can retrieve the current values of all output variables (computed by the model) for storage in the
HDB. When you configure the PDB you must define blocks for the output variables you want to connect.
The PDB is a global database so if you are executing several projects you will have, for example, per
project, DModX for the batch evolution and batch level models. In the PDB you should give these
DModX from different projects unique names.
In the Write back pages for the batch evolution and batch level respectively define which predictions,
limits and information to automatically export to the process database.
Figure: Write back page for batch evolution. The page is identical for batch level but Phase is Model.
98
Project administration
t Scores tPS
Limits
T2RangeCrit Critical limit for T2Range T2Crit for significance level 0.01.*
Information
AlarmStatus Batch evolution alarms 0 when no alarm was triggered.
1 when one or more warning alarms were
triggered.
2 when one or more critical alarms were
99
®
BioPAT SIMCA-online User Guide
SineTime Variable used to signal that Sine of the current time. Results in values
the server is running. ranging between -1 and 1.
Batch level
On the Batch level page, select which batch level models you want to include.
Under Batch level model prediction in the lower part of this dialog, select when to predict for the batch
level models. You can select to:
x Predict at model finish
x Predict at model finish and repredict at batch finish
x Predict at batch finish
100
Project administration
Batch conditions
When the offline batch level model has batch conditions, there is a Batch conditions page in the wizard.
Associate the batch condition tags in the Batch condition page, by marking the empty cell in the Tag
column and associating it with the appropriate variable in the Tags list.
101
®
BioPAT SIMCA-online User Guide
There are two degrees of limits: Lo Limit and Hi Limit representing the lower severity (warning), and
LoLo Limit and HiHi Limit representing the higher severity (critical). For each vector in each model, you
can define any combination of limits.
Vectors
The table below shows the vectors for which alarms can be added.
Vector Component/Variable Default Limits
DModX No component. DCrit at 0.05 and 0.01 significance
level.
Adding an alarm
1. In the Phase box, select a phase or leave <All phases> selected.
2. Select Vector and, when applicable, component.
3. Set the Hi Limit and/or HiHi Limit. The Lo Limit and LoLo Limit are automatically filled in as
the negatives of the Hi Limit and HiHi Limit. The HiHi limit must be numerically larger than
the Hi limit.
4. Click Add and note that the alarm is added to the list in the dialog.
Removing an alarm
Mark the alarm, and click Remove.
Updating an alarm
Mark the alarm, change the settings, and then click Update.
Note: An alarm can be added for each component for t, for each component combination for T2Range,
and for each y-variable for YPred.
Write back
The PDB can retrieve the current values of all output variables (computed by the model) for storage in the
HDB. When you configure the PDB you must define blocks for the output variables you want to connect.
The PDB is a global database so if you are executing several projects you will have, for example, per
project, DModX for the batch evolution and batch level models. In the PDB you should give these
DModX from different projects unique names.
In the Write back pages for the batch evolution and batch level respectively define which predictions,
limits and information to automatically export to the process database.
102
Project administration
Figure: Write back page for batch evolution. The page is identical for batch level but Phase is Model.
t Scores tPS
Limits
DCrit Critical distance for DModX DCrit*.
TMean Center of the hotelling's Average of the score vector for the selected
ellipse in the score scatter component.
plot.
TCrit The radius of the hotelling's TCrit for the selected component.
ellipse in the score scatter
plot.
Information
AlarmStatus Batch level alarms 0 when no alarm was triggered.
1 when one or more warning alarms were
triggered.
2 when one or more critical alarms were
triggered.
BatchID Batch identifier BatchID for the active batch. (batch only)
103
®
BioPAT SIMCA-online User Guide
SineTime Variable used to signal that Sine of the current time. Results in values
the server is running. ranging between -1 and 1.
104
Project administration
1. Click Upload BioPAT® SIMCA project (available when a project or the Type: Configurations
line is marked).
2. Select the BioPAT® SIMCA project and click Open. The configuration wizard opens.
When loading a BioPAT® SIMCA project, the following files are created specific to that project:
x Audit trail for the project (.audit).
x Static information of the BioPAT® SIMCA project (.solproject).
x A copy of the BioPAT® SIMCA project (.usp).
When adding a configuration for a regular project, the following files are created:
x Audit trail for the configuration (.audit).
x Configuration settings for audit trail (.bcg).
x Current configuration settings (.solconfig). This file is the internal configuration file and cannot
be imported when configuring another project.
x Database for triggered alarms and notes (.solconfig.db)
x Database for the results for the model (_Mn.db and _Mn.scdb)
The configuration wizard for a regular project includes the following pages:
Import configuration - to import an already created configuration-file.
Model - to specify model, execution interval and prediction condition.
Time ranges - to specify the time range displayed in the Overview window and in plots.
Tags - to associate the variables to the correct tags in the database.
Variable aliases - to optionally specify aliases to display in plots.
Target values - to specify target and limits for specific variables to display in plots and trigger univariate
alarms.
Alarms - to specify multivariate alarms.
Write back - To select project results and limits to send to external database.
Export configuration - to save the configuration to file.
To save the configuration for import, on the Export configuration page of the Configure wizard click the
Export configuration button and specify where to save it and under which name.
105
®
BioPAT SIMCA-online User Guide
Model page
Use the Model page of the configuration to specify model, execution interval and prediction condition.
The settings in the Model page are described in the table below.
Setting Description
The selected model using the model number and title from the BioPAT® SIMCA
Selected model
project file.
The execution interval is how often process data tags are read.
Execution interval Enter the desired execution interval. Recommended is to use the execution
interval of the BioPAT® SIMCA project.
Prediction condition, when used, specifies the condition under which predictions
will be performed. When the prediction condition is not fulfilled, there is no
prediction result.
Leaving Prediction condition empty results in continuous predictions of all
incoming data.
Click the button to the right of the Prediction condition field and in the
Configure Prediction Condition dialog:
1. Click the Tag name field button and select the tag to enter the condition
for.
2. Select a Logical expression and enter a value in the Value field.
3. Click Add/And/Or as desired.
Prediction condition When clicking OK the condition is automatically added to the Prediction
condition field.
106
Project administration
Time ranges
The values in the fields in the Time ranges page specify catch-up, what is displayed in the Overview
window and in the plots.
x The Catch-Up time range value specifies the time period (backing up from current) that will be
predicted if the execution is stopped and then resumed. If the Catch-Up time range value is '0',
predictions will only be made for current values when the execution resumes.
x The Default plot time range value specifies the time range displayed in the plots.
x The Overview time range value specifies the time range displayed in the Overview window.
These values can be changed as desired but the fields may not be left empty.
Tags
On the Tags page, each variable from the BioPAT® SIMCA model has to be associated with the correct
variable from the database.
To associate: Mark a (red) cell and double-click the variable in the Tags list.
For all methods to associate tags, see the Associating tags subsection next.
Use the Tag filter field at the bottom of the page to search in the variable list.
Use the shortcut menu to facilitate the association.
After associating variable IDs from the SIMCA models with the tags in the external database, click Next.
Associating tags
The variables are associated by clicking the cell in the spreadsheet, and then entering the name by one of
the following methods:
1. Double-clicking the variable from the database in the Tags list. Alternatively, right-clicking the
variable in the Tags list and clicking Associate tag.
2. Typing the name.
3. Pasting the name.
107
®
BioPAT SIMCA-online User Guide
Shortcut menu
Use the spreadsheet shortcut menu to Copy, Cut, Paste, Select all, Find and replace, Add prefix, or
Add suffix.
Variable aliases
In the Variable aliases page you can optionally specify alternative IDs for your variables.
Note: Identifiers entered in the Alias column are by default displayed in plots and lists.
Target values
On the Target values page, enter low, target, and high limits in the Lo Limit, Target, and Hi Limit cells
respectively. These limits will be displayed in plots but do not trigger alarms when the Alarms cell is left
empty.
Note: For batch projects with phases, you must select for which phase the target values should be
displayed/trigger alarms. By default the target values are displayed/triggered for <All Phases>.
Alarms
Use the Alarms column to let the Target values page not only specify limits to display in plots but also
univariate alarms. You can select:
x Missing - the alarm is triggered when missing value is read for the variable.
108
Project administration
x Outside - the alarm is triggered when the read value is either below the Lo Limit or above the Hi
Limit.
x Outside or missing - the alarm is triggered when a missing value is read or the read value is
either below the Lo Limit or above the Hi Limit.
Alarms
The Overview window displays each model in green. When configuring alarms, the color of a model
changes to yellow (warning) or red (critical) when the values of a specific model fall outside a set of
predefined alarm limits for a certain number of observations.
In the plots, triggered alarms are illustrated using a colored alarm symbol.
Triggers
Triggers are events that activate the alarm. There are two types of triggers:
x Trigger 1 activates when X observations in a row are outside the limit.
x Trigger 2 activates when Y observations are outside the limit.
The default values for X and Y are 3 and 10 respectively. To change these values, enter new values in the
Triggers section of the Alarms window.
There are two levels of limits: Lo Limit and Hi Limit which are warning, and LoLo Limit and HiHi
Limit which are critical. For each vector, you can define any combination of limits. The Lo limits are
automatically filled in as the negatives of the Hi limits.
Vectors
The table below shows the vectors alarms can be added for.
Vector Component/Variable Default Limit
DModX No component. DCrit at 0.05 and 0.01 significance level.
109
®
BioPAT SIMCA-online User Guide
T2Range From and To components. T2Crit at 0.05 and 0.01 significance level.
Note: Univariate alarms can be added for individual variables in the Target values page.
Adding an alarm
1. Set the trigger values in the Triggers section (or use the default settings).
2. Select Vector and, when applicable, component.
3. Set the Hi Limit and/or HiHi Limit. The Lo Limit and LoLo Limit are automatically filled in as
the negatives of the Hi Limit and HiHi Limit. The HiHi limit must be numerically larger than
the Hi limit.
4. Click Add and note that the alarm is added to the list in the dialog.
Removing an alarm
Mark the alarm, and click Remove.
Updating an alarm
Mark the alarm, change the settings, and then click Update.
Note: An alarm can be added for each component for t, for each component combination for T2Range,
and for each y-variable for YPred.
Write back
The PDB can retrieve the current values of all output variables (computed by the model) for storage in the
HDB. When you configure the PDB you must define blocks for the output variables you want to connect.
The PDB is a global database so if you are executing several models you will have, for example, one
DModX per model. In the PDB you should give these DModX from different models unique names.
In the Write back page, define which predictions, limits and information to automatically export to the
process database.
110
Project administration
t Scores tPS
Limits
DCrit Critical distance for DModX DCrit*.
TMean Center of the hotelling's Average of the score vector for the selected
ellipse in the score scatter component.
plot.
TCrit The radius of the hotelling's TCrit for the selected component.
ellipse in the score scatter
plot.
Information
AlarmStatus Batch level alarms 0 when no alarm was triggered.
1 when one or more warning alarms were
triggered.
2 when one or more critical alarms were
triggered.
BatchID Batch identifier BatchID for the active batch. (batch only)
SineTime Variable used to signal that Sine of the current time. Results in values
the server is running. ranging between -1 and 1.
111
®
BioPAT SIMCA-online User Guide
Depending on whether a project is executing or not, the status according to the buttons is displayed to the
left of the configuration name.
112
Project administration
Manage data
The Manage data button includes:
x Configuration - open the current configuration.
x Repredict data - to repredict selected batches or the specified time range for continuous.
x Delete predicted data - to delete selected batches.
These features are available for users with configuration management privileges only, and in the
following locations:
x Manage on the Home tab.
x Manage in the Project Administration dialog.
Note: The configuration done on the Batch evolution, Unit groups, and Batch level pages for batch and
Model for regular cannot be modified. To make such changes, add a new configuration for the project.
Note: Repredicting batches can take a while and the server may become unresponsive.
To repredict do as follows:
1. Enter the From date/time and To date/time that contain the (missed) batches.
2. Click the Show batches button.
The batches that match the specified time limits are displayed with their start and stop times and
current status. The status can be:
113
®
BioPAT SIMCA-online User Guide
Note: All batches within the date/time range will be displayed when clicking the Show batches button,
including batches already displayed in plots. However, the batches may display different status.
Note: Repredicting data can take a while and the server may become unresponsive.
To repredict do as follows:
1. Enter the From date/time and To date/time that specifies the time range to repredict.
2. Click the Repredict button.
Note: All data within the date/time range will be predicted when clicking the Repredict button, including
data already displayed in plots.
114
Project administration
Workspaces
A workspace holds information about the Client's open projects and plots. This selection can be saved as a
workspace. All workspaces are saved on the Server and can thus be opened by all clients connected to the
Server. Workspaces can be opened by any user, while workspace management privilege is needed to save
or remove workspaces.
Save workspace
To save the current selection of projects and plots as a workspace, on the View tab, in the Window group,
click Save workspace.
Alternatively use the Project Administration dialog:
1. With the Type: Workspaces section active.
2. Click Save workspace.
Delete workspace
To remove a workspace from the server:
1. On the View tab, in the Window group, click Save workspace.
2. Mark the unwanted workspace.
3. Press DELETE, or click the Organize button and click Delete.
Alternatively use the Project Administration dialog:
1. Mark the unwanted workspace in the Type: Workspaces section.
2. Press DELETE, or click the Organize button and click Delete.
115
Customizing plots
Introduction
The plots in BioPAT® SIMCA-online can be customized using Properties or Format Plot.
Commonly used features in the Format Plot dialog can be accessed from the mini-toolbar. The Format
Plot dialog can be opened from the mini-toolbar or by right-clicking the plot. Applying and organizing the
templates saved using the Format Plot dialog is done from Plot templates on the shortcut menu.
Properties or Plot Properties can be opened by right-clicking the plot or by clicking the Properties
group dialog box launcher. The content of the (Plot) Properties dialog is described in the sections
describing the Properties group on the Home tab for batch and regular respectively.
Content
This chapter describes the following features:
x Mini-toolbar - for quick access to common commands regarding the content or marking in the
plot.
x Show/Hide - to quickly show/hide text outside the plot area.
x Format plot - customize plots using Format Plot. Changes in Format Plot can be saved to a
template.
x Plot templates - save, load and manage the plot templates.
Mini-toolbar
When you click or mark points the mini-toolbar automatically appears. The mini-toolbar helps you to
customize the attributes of the plot, create contribution plots and to add notes to marked points. It also
appears with the menu when you right-click.
To hide the mini-toolbar, see the Managing the mini-toobar subsection.
Note: When clicking a symbol, that symbol is marked and the mini-toolbar for marked items appears.
Opens the Add note dialog. For details see the Add note
Add note.
subsection in the Tools chapter.
Mini-toolbar options When right-clicking the marking, the cogwheel appears allowing you
117
®
BioPAT SIMCA-online User Guide
Mini-toolbar for formatting, after clicking a text-field in the plot or an empty area:
A line. Format Plot dialog, line width, style, and color of that specific line
when the Marked items mini-toolbar is not enabled..
A limit. Format Plot dialog, line width, style, color and fill color of that
specific line. The last button allows saving the current settings as
default for the limit type.
Features available when clicking in the legend are described in the table.
Click in legend Mini-toolbar features in order of appearance
Symbol Format Plot dialog, hide series, symbol style, size and color.
Format Plot dialog, hide series, line width, style, and color of that
Line
specific line.
Features available when clicking in a text box are described in the table.
Click in text box Mini-toolbar features in order of appearance
Any text box (header, footer, axis Format Plot dialog, hide selected, font face, font size, grow font,
title, etc.) shrink font, bold, italic, font color and save as default style.
Mini-toolbar for subplot that zooms in or out depending on current plot state:
118
Customizing plots
Mini-toolbar for formatting, after clicking a text-field in the plot when Enable 'Format Plot' mini-
toolbar was selected in the Mini-toolbar options:
Format plot
Use the Format Plot dialog to change the most common attributes of the axes, plot area, and header and
footer.
To open the Format Plot dialog right-click the plot and click Format plot. This dialog can also be opened
by clicking a plot and then clicking the Format plot button in the Mini-toolbar or double-clicking on the
axes, axis titles, header or on the footer.
To save the new settings, click the Save Settings button in the settings dialog, or right-click the plot and
click Plot templates | Save as default.
Axis
The properties under the Axis node apply to the selected axis: Axis X, Axis Y, Axis Y2 (second Y-axis)
etc.
119
®
BioPAT SIMCA-online User Guide
Minimum Start point for the selected The new start point is used for the selected axis.
axis when the values are
displayed in regular order. For
time-variables the page is
adjusted, see the Time axis
subsection.
Maximum End point for the selected axis The new end point is used for the selected axis.
when the values are displayed
in regular order.
Auto adjust Default selected. If cleared, enables the Step size field.
scales for
suitable limits
and step size
Step size Default disabled. The entered value defines the major tick mark
spacing for the selected axis.
Reverse axis Default cleared. If selected, the scale is displayed with the highest
number to the left and the lowest to the right.
Annotation
Rotation Default No Rotation. Selecting 90 degrees displays the annotation
turned 90 degrees.
Title
Show title Default selected. If cleared, the axis title is not displayed.
Title The vector name. The new title. Title changes cannot be saved.
When you have more than one series in a plot, you can select to display more than one y-axis. For more,
see the Multiple Y axes subsection later in this chapter.
Time axis
The content for the Axis X and Axis X Title pages for a time variable is described in the table below:
Field/button Displays Result after entering a new value and
name clicking Apply
Time Axis section
120
Customizing plots
Minimum Start point in time units. The new start point is used for the selected axis.
Change by typing in the field.
Maximum End point in time units. Change The new end point is used for the selected axis.
by typing in the field.
Auto adjust Default selected. If cleared, enables the Step size field.
scales for
suitable limits
and step size
Step size Default disabled. The entered value defines the major tick mark
spacing for the selected axis.
unit The unit of the step size. Switching between units updates the step size
automatically.
Format section
Time format Default ISO 8601, YYYY-MM- The entered time format specifies the annotation on
DD HH:mm:ss. the marked time axis.
Show title Default selected. If cleared, the axis title is not displayed.
under Title
Title The vector name. The new title. Title changes cannot be saved.
Axis General
In Axis General the following features are available and are applied for all axes:
x Axis Color and Width.
x Always recalculate scales - when selected all axes are autoscaled. Clearing it makes the current
ranges of the axes stick even if the vector displayed is switched except when the new vector range
goes outside the minimum or maximum.
x Show arrows - when selected the arrows are displayed at the end of the axes.
x Arrow Color - Automatic here means the same as the axis color.
x Annotation Color and Distance from axis.
x Axis title Color.
121
®
BioPAT SIMCA-online User Guide
Tick Marks
Use the Tick Marks page to specify how the tick marks should be oriented and how long they should be.
Under Major tick marks and Minor tick marks the same boxes are available:
x Tick mark type - where None is no tick mark, Outside is to have the tick mark outside the axis,
Inside is to have the tick mark inside the axis and Cross is to have the tick mark on both sides of
the axis.
x Tick mark size is the length of the tick mark.
Font
Use the respective font pages, to select the Font, Font style, Size, and Effects for the annotation, title, etc.
Section Description
Font Displays the currently selected font. Click another font to switch.
Displays the current font style. Select to display the text Regular (default), Bold,
Font style
Italic, or Bold Italic.
Preview Displays a preview of the expected text according to the selections above.
Anti aliased Allows selecting to display the text Anti aliased or not.
122
Customizing plots
Section Description
check box
Gridlines
Use the Gridlines page to customize the gridlines and grid stripes. The gridlines are placed on the major
tick marks. Grid stripes are the areas between the gridlines, where every second such area can be colored.
Note: Gridlines and grid stripes can be specified individually for Vertical and Horizontal. Specification
using the node applies to both.
Gridline When selecting Gridline you can select to display the lines Solid, Dashed,
Dotted, Dash dot or Dash dot dot.
No grid stripes No grid stripes are displayed when No grid stripes is selected.
Grid stripe Solid fill When selecting Solid fill the grid stripes are displayed in the selected color.
Grid stripe Color Displays the current color and allows selecting a new color.
Grid stripe Gradient When selecting Gradient fill you can select to display the stripes Horizontal,
fill Vertical, Forward diagonal, Backward diagonal, Radial, Horizontal bar, Vertical
bar.
Grid stripe Color 2 Displays the current color and allows selecting a new second color for
Gradient fill.
Background
The Background node controls the attributes of the background displayed in the plot.
Note: The background fill and border can be specified individually for the Window area and Plot area.
Specification using the node applies to both.
Sold fill When selecting Solid fill the background is displayed in the selected color.
Gradient fill When selecting Gradient fill you can select to display the background Horizontal,
123
®
BioPAT SIMCA-online User Guide
Option/Box/Field Description
Vertical, Forward diagonal, Backward diagonal, Radial, Horizontal bar, Vertical
bar.
Color Displays the current color and allows selecting a new color for the background.
Color 2 Displays the current color and allows selecting a new second color for Gradient
fill.
Border
No border No border around the background area is displayed when No border is selected.
Solid line When selecting Solid fill, the background is displayed in the selected color.
Color Displays the current color and allows selecting a new color for the border.
Titles
Use the Format Plot dialog to customize the items available in the Titles node. When customizing, the
changes apply to the selected item, Header/Footer/Timestamp/Subheader.
Note: Changing color, font and size of the Header/Footer/Timestamp/Subheader can be done directly in
the plot by clicking and using the mini-toolbar for formatting.
124
Customizing plots
Legend
The Legend page controls the attributes of the legend, such as placement, color, and border.
The table describes the available options:
Option/Box/Field Description
Placement section
Show legend The legend is displayed when the Show legend check box is selected.
Position By default the legend is positioned Top right. To change from the default, click one
of the available placement options.
Text alignment Alignment of the text in the legend is by default Left. Right and Center are the
other options.
Color section
Text color By default the text is black.
To customize text color of the legend, click the Text color box.
Border section
Is visible By default the border is not displayed. To display the border around the legend,
select the Is visible check box.
Color To customize the border color of the legend, click the Color box in the Border
section.
Margin To specify the margin to the text, change the value in the Margin field.
Width To increase or decrease the width, enter a new number in the Width field.
125
®
BioPAT SIMCA-online User Guide
Color Displays the current color and allows selecting a new color.
Fill
Type Select to fill the area Over or Under the limit, or select No fill.
Select the fill to be Solid or Gradient. Selecting Solid enables the Color 1 box and selecting
Style
Gradient enables the Gradient, Color 1 and Color 2 boxes.
When selecting Gradient you can select to display the fill Horizontal, Vertical, Forward
Gradient
diagonal, Backward diagonal, Radial, Horizontal bar, Vertical bar.
Color 1 Displays the current color and allows selecting a new color.
Displays the current color and allows selecting a new color. Available when the Style is
Color 2
Gradient.
Label Style
The Labels pages control the attributes of the displayed plot marks. Color, alignment, font and rotation
apply to all labels in a given series.
The tabs available in the Labels node, Label Style, Font and General, are described in the table.
Option/Box/Field Description
Label section in Label Styles
Position The default position of the label in reference to the point is Right To position the
126
Customizing plots
Option/Box/Field Description
label in another direction, click the Position box and make a new selection.
Offset The offset defines the distance between the label and what it labels in the direction
of the selected Position.
To increase or decrease the distance between the label and item, enter a new
value in the Offset field.
Rotation The default rotation of the labels is 0. To rotate the label, enter a new value in the
Rotation field. Note that this field is unavailable when Avoid overlapping labels
has been selected in the General tab.
Background color The background color of the label is default transparent. To select a color, click the
Color box and make the selection.
Color Displays the current color of the border and allows selecting a new color.
Margin The margin between the text and the border can be customized in the Margin
field.
Width To increase or decrease the width, enter a new number in the Width field.
Draw connection Draw connection line is by default cleared. Selecting it will display a thin line
line between the label and its point.
General tab
Avoid overlapping With Avoid overlapping labels selected, point labels will try not to overlap each
labels other. A high specified limit in the Limit field in combination with many labels can
be quite time consuming.
Error Bars
The Error Bars page controls the attributes of the error bars displayed in the Y Predicted plot for batch
level plots.
The settings available are:
x Is visible - hides the error bars when cleared.
x Color of the error bars - by default black. To display the error bars in any other color, click the
Color box.
x Line width of the vertical and horizontal lines. To display wider error bars, enter a new number
in the field.
x Error bar width is how wide the horizontal line is compared to the column.
127
®
BioPAT SIMCA-online User Guide
Styles
In the Styles node the attributes of the series, and for batch evolution plots limits, can be customized.
The available pages in the Styles node, different depending on which plot is open, are:
x Category coloring
x Marking Style
x Line Style
x Fill Style - See Customizing limits Fill section.
x Y-Axis
x Font
Category coloring
In Category coloring you can specify colors for the batches.
128
Customizing plots
Marking style
In the Marking Style page you can change the marking colors by marking and selecting a new color in the
color box to the right.
Symbol Style
The Symbol Style page controls the attributes of the symbols displayed in the plot.
The table describes the available options:
Option/Box/Field Description
Shape The shapes of the series can be changed by:
1. Marking a series.
2. Selecting a new shape in the Shape box.
With None selected, no symbols are displayed.
Size To increase or decrease the size, enter a new number in the Size field.
For the Worm plot for continuous, the size of the head of the worm is sized
proportionally.
Fill
Gradient fill Allows you to select to display the symbol with a gradient fill of type Horizontal,
Vertical, Forward diagonal, Backward diagonal, Radial, Horizontal bar, Vertical
bar.
Color Displays the current color. To display another color, click the Color box, and then
select a new color.
Color 2 Displays the current second color for Gradient fill and allows selecting a color.
Outline
Color Color of the outline. Automatic results in an outline in the same color as the
symbol but in a darker shade.
Glow
Use glow When selected an area outside the outline is colored for a glowing effect.
Color Color of the glow. Automatic results in the same color as fill color.
129
®
BioPAT SIMCA-online User Guide
Line Style
The Line Style page controls the attributes of the lines displayed in the plot.
The table describes the available options:
Option/Box/Field Description
Pattern Change the pattern of the line by clicking the Pattern box and selecting another
pattern.
The available types are: Solid, Dashed, Dotted, Dash dot, and Dash dot dot.
Width To increase or decrease the width, enter a new number in the Width field.
Color To display another color, click the Color box, and then select a new color.
Smoothed line Select Smoothed line (Bezier) to smooth out the edges of the line.
(Bezier)
Note: Filling is available in the Fill Style tab. See the Customizing limits subsection for details.
130
Customizing plots
Multiple Y axes
When you have more than one series in a plot, you can select to display more than one y-axis and linking
it to one of the series.
To display multiple y-axes:
1. Click the Styles node and click the series you want on the second y-axis.
2. Click the Y Axis tab.
3. In the Attach to Y Axis box, select Axis Y2.
Steps 1 - 3 can be repeated for more series.
Multiplots
For multiplots there are Plot nodes beneath the Styles node, named Plot 1, Plot 2, etc.
In these plots specific nodes the Sub Title and Plot area of the individual plots can be customized as
described in Titles and Background respectively.
Plot templates
The Plot templates command on the shortcut menu holds features pertaining to handling of the templates.
The following features are available and described in this section:
x Load described in the Switching plot formatting templates subsection.
x Save as and Save as default described in Saving plot formatting template subsection.
x Open templates folder - opens the folder holding the templates when clicked.
x Restore default settings described in Restoring to default plot formatting subsection.
The Format Plot dialog itself is described in the self titled section earlier in this chapter.
131
®
BioPAT SIMCA-online User Guide
Note: Only the formatting available in the current plot is saved to the customized plot formatting
configuration. All other formatting will remain default. This means that formatting of headers, footers etc.
apply to all plot types (e.g. scatter, column, line) while default line color, default symbol shape are plot
specific and need to be specified with that plot type open.
132
Maintenance
Introduction
This chapter contains instructions and routines for the administrator on how to maintain the BioPAT®
SIMCA-online system.
Content
Backup and restore
Resource management
Backup
1. Stop the server.
2. Backup the database directory and subdirectories.
3. Backup the configuration file.
4. Backup the license file.
5. Backup the plugin directory.
6. Backup the SimApi files and settings.
7. Start the server.
Restore
1. Stop the server.
2. Restore the database directory and subdirectories.
3. Restore the configuration file.
4. Restore the license file.
5. Restore the plugin directory.
6. Restore the SimApi files and settings.
7. Start the server.
Resource management
Several data structures are used by BioPAT® SIMCA-online for keeping information about predicted
results, their identifiers and when they executed, triggered alarms, added notes and such. Over time these
data structures grow in size. These data structures are stored in a database that increases over time,
sometimes to an unsustainable level.
It is therefore important to include regular checks on available disk space on the server computer.
What to do?
When the available disk space becomes low, you have to free up disk space on your computer.
To free disk space, you may remove project configurations or delete historical batches.
133
Appendix A: General information
License reminder
A license reminder will be issued and written to the log dockable window once a day starting 60 days prior
to license expiration. The last 10 days prior to license expiration a tooltip will also be displayed once a
day.
Possible Application does not have sufficient permissions to complete the operation.
cause:
Solution: In Control Panel, click Administrative Tools, and then Services. Locate the BioPAT® SIMCA-
online Server service, right-click and click Properties. Click the Log On tab, and enter the correct
password for the specified account.
Solution: For more information, review the server log file, or if the log file does not exist, the Windows
event log. The server log file is named SIMCAonlineserver.log and positioned in the database
folder specified in the Server configuration page Paths and directories.
Solution: Open BioPAT® SIMCA-online Server Options from Umetrics | BioPAT® SIMCA-online 13
and review the settings.
135
®
BioPAT SIMCA-online User Guide
Solution: Open BioPAT® SIMCA-online Server Options from Umetrics | BioPAT® SIMCA-online 13,
tab Paths and directories and review the settings.
Solution: Open BioPAT® SIMCA-online Server Options from Umetrics | BioPAT® SIMCA-online 13,
tab SimApi and review the settings.
Possible The license has expired or the license file cannot be found.
cause:
Solution: Open BioPAT® SIMCA-online Server Options from Umetrics | BioPAT® SIMCA-online 13,
tab Paths and directories. Click the Import button and browse to the license file.
For more information, review the server log file, or if the log file does not exist, the Windows
event log. The server log file is named SIMCAonlineserver.log and positioned in the database
folder specified in the Server configuration page Paths and directories.
Possible The account the database directory used for the server has too low permissions.
cause:
Solution: Open BioPAT® SIMCA-online Server Options from Umetrics | BioPAT® SIMCA-online 13,
tab Paths and directories and review the settings.
Solution: Open BioPAT® SIMCA-online Server Options from Umetrics | BioPAT® SIMCA-online 13,
tab Network Settings and review the settings.
Server endpoints
TCP/IP is the only supported protocol. The default port is 2371.
®
BioPAT SIMCA-online interfaces
BioPAT® SIMCA-online is available with an interface to OPC, OSIsoft PI, ODBC, AspenTech IP21 and
more. Please contact you sales representative for more information.
Terminology changes
With the rearrangement of BioPAT® SIMCA-online into ribbons, features were moved, some renamed,
others found obsolete. In this section the basic terminology changes are listed in alphabetical order of the
previous version terminology.
136
Appendix A: General information
SIMCA-Batch On-Line
BioPAT® SIMCA-online
SIMCA-4000
Autocolor Autoformat
PS-vectors, for example The letters PS in the vector name of the predicted
DModXPS vectors is no longer displayed.
Discontinued features
Discontinued features when comparing BioPAT® SIMCA-online 13 to SIMCA-Batch On-Line 3.4 and
SIMCA-4000 12 are:
x Four overview plots - the plots can be opened one by one and tiled. Use workspaces to specify
project configurations and plots to open.
x Plots displaying model results: Score Plot, Loading Plot, Variable Importance Plot (VIP), and
Coefficient Plot.
x Insert plot label.
x Coordinate reader - The Status Bar displays the plot coordinates.
x Regression line.
x Shewhart, EWMA and CUSUM Control Charts.
x Administrator Message.
x Connected Clients.
x Server Info dockable window - info available in the Project Info and Log windows and in the
Status bar.
x Lag Multiplier in the configuration of projects. When the sample time between consecutive
observations in BioPAT® SIMCA offline was different from the online execution time, you
could use the Lag Multiplier field to address this. In BioPAT® SIMCA-online the sampling and
execution times have to correspond.
x Model Description in the configuration of projects. To alter the name of a configuration from the
default (project: model title), in the Project Administration dialog, right-click the configuration,
click Rename and introduce the change.
x Averages box allowing removal of average and normalization of batch evolution plots.
x Time Sync setting. Was deemed unnecessary.
x Show Overview Status – select to show the status of all open projects in the Active Batches
dockable window. Currently displayed by coloring the project configuration tab.
x Grouping of observations in combination with sort for contribution plots.
137
®
BioPAT SIMCA-online User Guide
138
Glossary
A
Active batches: The Active Batches (previously named current) are the batches that are being predicted by the server
currently. The active batches are displayed as they are evolving in the batch evolution control charts and in the
Overview window. After completion, batch or model wise, active batches are also displayed in the batch level plots.
Note: when repredicting a batch it will also briefly show up as active during the time it is being predicted.
Automatic classification: Option available in previous versions. In the current version there is no automatic
classification. Phase belonging of new observations is identified using the phase condition.
Average batch: The average batch is the average at each time point, computed over all batches in the model.
B
Batch hibernation: Batch hibernation was available in a previous version. In the current version, batch hibernation is
only available between phases when a phase condition for any phase not yet has been fulfilled.
Batch node: The batch node contains information about start and stop times of the batches. The batch node is created and
updated by the external system.
Batch process: A batch process is a finite duration process. The batch starts, evolves, and stops.
C
Catch up: The model reads all observations since the last execution or since the specified time point.
Class: A class is a subset of similar observations from a dataset.
Concurrent batches: The ability to run and monitor several batches at once.
Contribution: The contribution is a measure of the differences in variable values between two observations. The
differences are normally weighted by model loadings or modeled variability.
Critical limit: When points are found outside the critical limit the resulting product is likely to be of poor quality.
Cross-validation: In cross-validation, parameters are estimated on one part of a matrix and the goodness of the
parameters tested in terms of its success in the prediction of another part of the matrix.
Current batches: See Active batches.
D
Data source: See SimApi.
Dataset: A dataset is the base of all multivariate data analysis, often also called a data matrix. It is made up of values of
several different variables for a number of observations. The data are collected in a data matrix (data table) of N rows
and K columns, often denoted X. The N rows in the table are termed observations. The K columns are termed
variables.
Dependent variables: See Y-variable.
Discriminant analysis: Discriminant analysis is a method for allocating observations to one class of a given set of classes
by means of a decision rule based on a function of the data. The function is derived from data for a reference set of
individuals where it is known which class each individual belongs to.
E
Endpoint: See Port.
139
®
BioPAT SIMCA-online User Guide
F
Factor: Factor is a term often used in experimental design. It signifies controlled and varied variable. Also a term for one
model dimension in factor and bilinear models. See also: X-variable.
Factor analysis: Factor analysis has an aim similar to PCA, but assumes an underlying model with a specified number of
factors which are linear combinations of the original variables. The analysis is more concerned with 'explaining' the
covariance structure of the variables rather than with 'explaining' the variances.
H
HDB: HDB is the abbreviation for Historical DataBase. The HDB contains observations from the past.
Hi limit: Hi and Lo limits are used as warning limits. This means that when the process is inside these limits it is under
control.
HiHi limit: HiHi and LoLo limits are used as critical limits. This means that when the process is outside one of these
limits it is out of control.
Historical batch: A historical batch is a batch that was not part of the workset of the model, was previously monitored,
has finished, and sits in the database.
L
Least squares estimate: The least squares estimate is a method to estimate model parameters by minimizing the sum of
squares of the differences between the actual response value and the value predicted by the model.
Lo limit: Hi and Lo limits are used as warning limits. This means that when the process is inside these limits it is under
control.
Loading vector: The loading vector is the direction coefficients of a PC or PLS component axis.
LoLo limit: HiHi and LoLo limits are used as critical limits. This means that when the process is outside one of these
limits it is out of control.
M
Missing value: Missing values are elements in a data matrix without defined values. As a rule of thumb, each observation
and variable should have more than five defined values per principal component. Observations (or variables) with
missing values that show up as outliers should be treated with suspicion.
Model: A model is: 1) An approximation of reality. A good model preserves all properties of interest. 2) A hyperplane,
with limited extension, that approximates the variable space spanned by a class of observations.
MSPC: Multivariate Statistical Process Control. The use of multivariate methods to characterize the state of a process
with respect to known states. The state is determined from model score plots and distance to model plots. See also:
SPC.
Multivariate analysis: Multivariable analysis is a group of statistical methods, which are appropriate when
measurements are made on several variables for each of a large number of individuals or observations.
Multivariate data: Multivariate data consist of observations on several different variables for a number of individuals or
observations. Indeed, the vast majority of data is multivariate, although introductory statistics courses naturally
concentrate on the simpler problems raised by observations on a single variable.
N
NIPALS: Non-linear Iterative Partial Least Squares
O
Observation space: The space spanned by the observation vectors of a data matrix. Each variable vector is represented as
a point in that space.
Outlier: An outlier is a batch or time point found outside a critical limit, e. g. DCrit.
140
Glossary
P
Partial Least Squares: Partial Least Squares Projection to Latent Structures. See PLS.
Partial models: In workset of the batch level model, where the batch evolution model has phases, there is a ’Create
partial models for each phase’ box. After selecting this box, the models fitted are cumulative over the phases. That is,
the first model contains the first phase, the second the first and second phases, etc. and the last contains all phases.
PC: Principal Component. A PC is a one model dimension of a PC model. Often also used as a term for the scores t.
PC modeling: Principal Component modeling. PC modeling is: 1) The use of PCs to define a model. 2) The
approximation of a matrix by a model, defined by averages and a relatively small number of outer vector products.
The components can often be used in place of the original variables for plotting, regression, clustering and so on.
PCA: Principal Component Analysis. PCA is the technique for finding a transformation that transforms an original set of
correlated variables to a new set of uncorrelated variables, called principal components. The components are obtained
in order of decreasing importance, the aim being to reduce the dimensionally of the data.
PDB: PDB is the abbreviation for Process DataBase, a database in the external system.
PLS: Partial Least Squares Projection to Latent Structures. PLS is a generalization of PCA where a projection model is
developed predicting Y from X via scores of X. Can also be seen as a generalized multiple regression method that can
cope with multiple collinear X and Y variables.
Port: The communication channel that is used by the server and client. Also named Endpoint. BioPAT® SIMCA-online
uses TCP ports.
Prediction set: A dataset used together with an established model in order to obtain model predictions for each of the
observations in the set. See also Test dataset.
Predictor variable: See X-variable.
Principal component: See PC.
Principal component analysis: See PCA.
Principal component modeling: See PC modeling.
Principal factor analysis: See: Principal component analysis.
Projection: 1) The act of projecting. 2) Something that has been projected, i.e. the 'picture' of orthogonally projected
points on a line, plane or hyperplane.
Projection methods: Projection methods are a group of methods that can efficiently extract the information inherent in
MVD. They give results that are easy to interpret because they can be presented as pictures. Such methods are
efficient for pattern recognition, classification, and predictions. The most commonly used methods are PC and PLS
modeling.
Projection point: The projection point is a point, along a line or in a plane or hyperplane (created by approximating data
in k-space as a low dimensional hyperplane), which is closest to the original point.
Projection to Latent Structures: See PLS.
PS: Prediction Set. Denotes that the vector displays results for predictions.
R
Recent batches: Recent Batches are the most recent batches that have finished executing. The time range that defines
recent batches can be modified in the Time ranges page of the project configuration for each project.
Reference batch: A reference batch is any historical or workset batch that you select to display alongside the active
batches. You select a reference batch by marking it in the Batches box. A reference batch is by default displayed as
line without symbols alongside the active batches.
Reference dataset: The term 'Reference dataset' is used for datasets with known properties and origin, often used to
define models. Synonyms: Calibration dataset, Training dataset, Workset.
Regression: In mathematics Y is called a function of X, but in statistics the term regression of Y on X is generally used to
describe the (sound, approximate) relationship.
Regression analysis: Regression analysis is the fitting of an equation to a set of values. The equation predicts a response
variable from a function of regressor variables and parameters, adjusting the parameters such that a measure of fit is
optimized.
141
®
BioPAT SIMCA-online User Guide
Residual: The residuals are the left-over; un-modeled part of a dataset; the mismatch between the observed and modeled
values.
Response variable: See Y-variable.
S
Score: The score is: (1) The distance from the origin, along a loading vector, to the projection point of an observation in
K- or M-space. (2) The coordinates of a point when it is projected on a model hyperplane.
Score vector: The score vector is the observation coordinates along a PC or PLS component axis. Scores for all
observations for one model dimension (component).
SDB: SDB is the abbreviation for BioPAT® SIMCA-online DataBase. SDB is the internal database created by BioPAT®
SIMCA-online to store results.
Selected batch: See Reference batch.
SimApi: Short for BioPAT® SIMCA Application Programming Interface. A data source and a programming interface for
data access specified by Umetrics. Version 2 is the latest version used by BioPAT® SIMCA-online.
SimApi DLL: An implementation of the SimApi for a specific external system. Used by BioPAT® SIMCA-online to
obtain data from the external system. Sartorius-Stedim provides the DBMaker SimApi DLL for demo purposes, and
there are implementations for OPC, PI, ODBC.
BioPAT® SIMCA: The Sartorius-Stedim offline software used to create projects to use in BioPAT® SIMCA-online. See
the System requirements section for version.
Singular value decomposition: See: Principal component analysis
Sleep: Sleep is used to inform BioPAT® SIMCA-online of skipped observations. Sleep was used in versions before 3.0 of
SBOL to inform SBOL of skipped phases.
SPC: Statistical Process Control. The behavior of a process is characterized using data when the process is operating well
and is in a state of control. In the monitoring phase the new incoming, measured, data are used to detect whether the
process is in control or not. See also: MSPC.
Sub-batch: When a batch is partitioned into several physical parts, each part is a sub-batch.
Sublot: See sub-batch.
T
Tag: Tag is another name for variable.
TCP/IP: TCP/IP is the standard internal protocol. BioPAT® SIMCA-online uses TCP.
Test dataset: See Prediction set.
Trend plot: Variable plot that is displayed over time.
Trigger: An act or event that initiates a reaction such as raising an alarm.
U
Unit: A unit is a physical equipment/machine/vessel that processes a sub-batch.
Unit group: A unit group is a process step, for instance a granulator. The unit group contains one or more identical units.
W
Warning limit: When points are found outside the warning limit the process has left its controlled state and some
parameters should probably be adjusted.
Workset: The workset contains the batches used to build models in SIMCA. Synonyms: Training dataset, training set.
Workspace: A workspace consists of one or more open project configurations and the positioning of all open plots as
arranged when the workspace was saved.
X
142
Glossary
X-variable: X-variables are used to 'explain' the variation in the dependent variables (y). Synonyms: predictor variables
or explanatory variables.
Y
Y-variable: Y-variables are modeled as dependent on other variables. These other variables are often named predictor
variables or X-variables. Synonyms: dependent variables, response variables.
143
Index
145
A Catch-up ....................................... 130
Adding Changing
Alarms............................. 140, 147, 159 Color ...............................................174
Note .................................... 96, 97, 120 Configuration ..................................166
Project .............................................125 Classifying new batches ................. 29
Unit groups .....................................131
Workspaces .....................................168 Client window................................. 31
Administrator preparation ............... 22 Close project configuration............. 37
Alarm Color
Adding batch evolution ...................140 Background .....................................181
Adding batch level ..........................147 Customization .................................174
Adding for regular...........................159 Combined ....................................... 72
Alarm triggers for BEM ..................142
Coloring ............................................88 Communication parameters .............. 7
Displaying triggered alarms ..............62 Configuration
Export ............................. 143, 149, 162 Audit trail ..........................................91
Show limits .......................................74 Export ..................................... 151, 164
All Y Predicted Plot ........................ 69 Import ..................................... 128, 153
Loading ................................... 128, 153
Associating tags .................... 136, 156 Saving ..................................... 151, 164
Audit Trail ................................ 46, 91 Server ..................................................6
Axis ...................................... 175, 178 Configuring
Network settings ...............................36
B Old project ......................................166
Phase conditions..............................132
Background................................... 181 Project ..................................... 127, 152
Batch Server ..................................................5
Box....................................................70 Connect
Box in BioPAT® SIMCA-online options57 batch conditions to tags ...................146
Classification ....................................29 local centering to tags .....................138
Conditions .......................................146 output variables to the process database142, 148,
Data visualization..............................11 161
Deleting...........................................168 SIMCA variables to tags .................135
Evolution...........................................12 tags and configuring phase conditions132
Model selection ...............................145 to Server ............................................36
Monitoring ........................................26
Node................................................129 Context menu................ 137, 157, 171
Repredict .........................................166 Contribution plot batch evolution
Batch evolution Difference between .........................111
Contribution plots ...........................107 Display .................................... 106, 116
Overview...........................................87 DModX ...........................................108
Plots ..................................................62 Hotelling's T2Range........................109
Properties ..........................................74 Score plot ........................................107
Y Predicted .....................................110
Batch filter .................................... 129
Contribution plot batch level
Batch level Display .................................... 106, 116
Alarms.............................................147 DModX ...........................................113
Combined ..........................................72 Hotelling's T2Range........................113
Contribution plots ...........................112 Score plots ......................................112
Layout box ........................................72 Y Predicted .....................................114
Model selection ...............................145
Overview...........................................87 Control charts
Properties ..........................................81 Defining ..........................................139
Variables ......................................... 115 Limit calculation ...............................16
Box Control Tags ................................. 132
Batches ..............................................70 Create
Components ......................................71 Contribution plot ..................... 106, 116
Layout ...............................................72 List ..................................................121
Variable.............................................72 Variable plot ........................... 106, 116
Button Critical limit.......................... 140, 147
Add note.............................. 96, 97, 120
Drill down .......................................105 Customizing
Starting, stopping execution ............164 Plots with Format plot .....................174
Zooming in, out...............................104 Plots with Properties ................... 74, 81
C D
Catchup ................................. 130, 155 Databases
146
Index
147
®
BioPAT SIMCA-online User Guide
148
Index
149
®
BioPAT SIMCA-online User Guide
150
Sartorius Stedim Systems GmbH
Robert-Bosch-Str. 5–7
34302 Guxhagen, Germany
Phone +49.551.308.0
Fax +49.551.308.3289
www.sartorius-stedim.com
Copyright by
Sartorius Stedim Biotech GmbH,
Goettingen, Germany.
All rights reserved. No part of
this publication may be reprinted
or translated in any form or by any
means without the prior
written permission of Sartorius
Stedim Biotech GmbH.
The status of the information,
specifications and illustrations
in this manual is indicated by
the date given below.
Sartorius Stedim Biotech GmbH
reserves the right to make changes
to the technology, features,
specifications and design of the
equipment without notice.
Status:
June 2013,
Sartorius Stedim Biotech GmbH,
Goettingen, Germany