Haining Pee

Informatics Applications Specialist

APAC Informatics Marketing
12 March 2020

©2019 Waters Corporation COMPANY CONFIDENTIAL 1

 House Rules

 If you have any questions during the webinar, please feel free to post your
questions in the Q&A Feature.
– We will address these questions at the end of the webinar

 Post-webinar, these will be sent to you via your registered email:

– PDF slides of the presentation
– PDF summary of the presentation
– Q&A summary

 I would be happy to have further discussions via email at:

haining_pee@waters.com

©2019 Waters Corporation COMPANY CONFIDENTIAL 2

 Webinar Outline

1. Recap on Theory of Quantitation

2. Sample Weight Importer to simplify data entry of:
I. Sample Weight (Samples)
II. Value (Standards)
3. Custom Fields to streamline advanced assay calculations
4. Batch Processing to generate results in a single click

All while improving data compliance.

©2019 Waters Corporation COMPANY CONFIDENTIAL 3

 Recap on Quantitation in Empower 3

©2019 Waters Corporation COMPANY CONFIDENTIAL 4

 Theory of Quantitation in Empower 3 – Summary
Peak Area

5.0E6 𝑉𝑎𝑙𝑢𝑒𝑆𝑝𝑙 × 𝐷𝑖𝑙𝑢𝑡𝑖𝑜𝑛𝑆𝑝𝑙

𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑝𝑙 =
𝑆𝑎𝑚𝑝𝑙𝑒 𝑊𝑒𝑖𝑔ℎ𝑡𝑆𝑝𝑙

𝑉𝑎𝑙𝑢𝑒𝑠𝑝𝑙
1.0E6

0.00 2.00 4.00 6.00 8.00

Amount (ppm)
𝑉𝑎𝑙𝑢𝑒𝑆𝑡𝑑 × 𝑃𝑢𝑟𝑖𝑡𝑦𝑆𝑡𝑑 × 𝑆𝑎𝑚𝑝𝑙𝑒 𝑊𝑒𝑖𝑔ℎ𝑡𝑆𝑡𝑑
𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑡𝑑 =
𝐷𝑖𝑙𝑢𝑡𝑖𝑜𝑛𝑆𝑡𝑑

©2019 Waters Corporation COMPANY CONFIDENTIAL 5

 Theory of Quantitation in Empower 3 – Summary

𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑝𝑙 𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑡𝑑
Peak Area

=
5.0E6 𝑅𝑒𝑠𝑝𝑜𝑛𝑠𝑒𝑆𝑝𝑙 𝑅𝑒𝑠𝑝𝑜𝑛𝑠𝑒𝑆𝑡𝑑
𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑡𝑑
𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑝𝑙 = × 𝑅𝑒𝑠𝑝𝑜𝑛𝑠𝑒𝑆𝑝𝑙
1.0E6 𝑅𝑒𝑠𝑝𝑜𝑛𝑠𝑒𝑆𝑡𝑑

0.00 2.00 4.00 6.00 8.00

Amount (ppm)

©2019 Waters Corporation COMPANY CONFIDENTIAL 6

 Theory of Quantitation in Empower 3 – Summary

𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑝𝑙 𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑡𝑑
Peak Area

=
5.0E6 𝑅𝑒𝑠𝑝𝑜𝑛𝑠𝑒𝑆𝑝𝑙 𝑅𝑒𝑠𝑝𝑜𝑛𝑠𝑒𝑆𝑡𝑑
𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑡𝑑
𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑝𝑙 = × 𝑅𝑒𝑠𝑝𝑜𝑛𝑠𝑒𝑆𝑝𝑙
1.0E6 𝑅𝑒𝑠𝑝𝑜𝑛𝑠𝑒𝑆𝑡𝑑

0.00 2.00 4.00 6.00 8.00

Amount (ppm)

 Substituting the equations for 𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑡𝑑 and 𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑝𝑙 , and allowing Sample
Weight and Dilution of Standard = 1,

©2019 Waters Corporation COMPANY CONFIDENTIAL 7

 Theory of Quantitation in Empower 3 – Simplified

𝑉𝑎𝑙𝑢𝑒𝑆𝑡𝑑 × 𝑃𝑢𝑟𝑖𝑡𝑦𝑆𝑡𝑑 𝐷𝑖𝑙𝑢𝑡𝑖𝑜𝑛𝑆𝑝𝑙

𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑝𝑙 = × 𝑅𝑒𝑠𝑝𝑜𝑛𝑠𝑒𝑆𝑝𝑙 ×
𝑅𝑒𝑠𝑝𝑜𝑛𝑠𝑒𝑆𝑡𝑑 𝑆𝑎𝑚𝑝𝑙𝑒 𝑊𝑒𝑖𝑔ℎ𝑡𝑆𝑝𝑙

COMPONENT EDITOR
RUN SAMPLES

99.000 99.000 99.000

99.800 99.800 99.800
99.000 99.000 99.000
99.500 99.500 99.500
99.300 99.300 99.300

©2019 Waters Corporation COMPANY CONFIDENTIAL 8

 Theory of Quantitation in Empower 3 – Simplified

𝑉𝑎𝑙𝑢𝑒𝑆𝑡𝑑 × 𝑃𝑢𝑟𝑖𝑡𝑦𝑆𝑡𝑑 𝐷𝑖𝑙𝑢𝑡𝑖𝑜𝑛𝑆𝑝𝑙

𝐴𝑚𝑜𝑢𝑛𝑡𝑆𝑝𝑙 = × 𝑅𝑒𝑠𝑝𝑜𝑛𝑠𝑒𝑆𝑝𝑙 ×
𝑅𝑒𝑠𝑝𝑜𝑛𝑠𝑒𝑆𝑡𝑑 𝑆𝑎𝑚𝑝𝑙𝑒 𝑊𝑒𝑖𝑔ℎ𝑡𝑆𝑝𝑙

SAMPLE WEIGHT IMPORTER

©2019 Waters Corporation COMPANY CONFIDENTIAL 9

 Calculation of Assay in Empower 3
with Sample Weight Importer

©2019 Waters Corporation COMPANY CONFIDENTIAL 10

 Empower 3 Sample Weight Importer

 Workflow in an analytical laboratory:

Manually enter
Weigh standards Run
weight into
and samples sample set
Empower

©2019 Waters Corporation COMPANY CONFIDENTIAL 11

 Empower 3 Sample Weight Importer

 With the Empower Sample Weight Importer (SWI):

SWI

Weigh standards SWI transfers Run

and samples weight to Empower sample set

©2019 Waters Corporation COMPANY CONFIDENTIAL 12

 Empower 3 Sample Weight Importer Benefits

 Empower Sample Weight Importer (SWI) Offers:

1 Transfer Weights Directly

Directly transfer sample weight from Balance to Empower

2 Complete Audit Trails

All weights imported are tracked using Empower audit trails
SWI

3 Increase Lab Efficiency

Eliminate manual transcription errors & reduce data integrity risks

©2019 Waters Corporation COMPANY CONFIDENTIAL 13

 Empower – Sample Set Method Screen

RUN SAMPLES

©2019 Waters Corporation COMPANY CONFIDENTIAL 14

 SWI Set Up – The Initial SWI Screen

Choose the Weighing Balance & Sample Set Method

©2019 Waters Corporation COMPANY CONFIDENTIAL 15

 SWI Set Up – The Initial SWI Screen

Choose the Weighing Balance & Sample Set Method

©2019 Waters Corporation COMPANY CONFIDENTIAL 16

 SWI Set Up – The Initial SWI Screen

Choose the Weighing Balance & Sample Set Method

©2019 Waters Corporation COMPANY CONFIDENTIAL 17

 SWI Set Up – Load a Sample Set Method to SWI Screen

©2019 Waters Corporation COMPANY CONFIDENTIAL 18

 SWI Set Up – Import Weights to Sample Set Method on SWI

Two samples are weighed

©2019 Waters Corporation COMPANY CONFIDENTIAL 19

 SWI Set Up – Map Weights to Sample Table on SWI

Sample Weights are mapped to Sample Set table

©2019 Waters Corporation COMPANY CONFIDENTIAL 20

 SWI Set Up – Map Weights to Component Table on SWI

An individual weight can be mapped onto multiple rows

©2019 Waters Corporation COMPANY CONFIDENTIAL 21
 SWI Set Up – Imported Weights to Sample Set Table

7.94820

16.12880

RUN SAMPLES

©2019 Waters Corporation COMPANY CONFIDENTIAL 22

 SWI Set Up – Imported Weights to Component Editor

COMPONENT EDITOR

2.644

9.067
2.644

9.067

©2019 Waters Corporation COMPANY CONFIDENTIAL 23

 Empower Audit Record – Save Changes on SWI

©2019 Waters Corporation COMPANY CONFIDENTIAL 24

 Advanced Calculation of Assay in Empower 3
with Custom Fields

©2019 Waters Corporation COMPANY CONFIDENTIAL 25

 What are Custom Fields?

 Custom Fields are identical to predefined fields and

can be used fully in all operations in Empower

Descriptors

Fields that store data

– Able to retrieve, search and

sort data
– Able to track data entry
– Able to report data

©2019 Waters Corporation COMPANY CONFIDENTIAL 26

 What are Custom Fields?

 Custom Fields are identical to predefined fields and

can be used fully in all operations in Empower

Descriptors

Fields that store data

– Able to retrieve, search and

sort data
– Able to track data entry
– Able to report data

©2019 Waters Corporation COMPANY CONFIDENTIAL 27

 What are Custom Fields?

 Custom Fields are identical to predefined fields and

can be used fully in all operations in Empower

Descriptors Calculations

Fields that store data Fields that perform calculations

– Able to retrieve, search and – Able to minimize manual transcription

sort data and perform automated calculations
– Able to track data entry – Able to track calculations
– Able to report data – Able to lock calculation formula
– Able to report calculated custom
fields
©2019 Waters Corporation COMPANY CONFIDENTIAL 28
 Automated Calculation: 𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠

 One common calculation in Pharma industry is 𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠

– This calculation takes into account the results of the water content test.

 The formula to calculate 𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠 is as follows:

𝐴𝑚𝑜𝑢𝑛𝑡
𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠 = × 100
100 − %𝐿𝑂𝐷

Where,
𝐴𝑚𝑜𝑢𝑛𝑡 = Amount calculated from Empower = 123.5 mg
%𝐿𝑂𝐷 = Percent Loss on Drying = 0.24 %

©2019 Waters Corporation COMPANY CONFIDENTIAL 29

 Automated Calculation: 𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠

 Empower allows the calculation of 𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠 to be performed

automatically
 To calculate this, 2 custom fields were created:

Custom Fields Formula Calculation

AssayCorrected_LOD = 𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠

(Caffeine[Amount] / 𝐴𝑚𝑜𝑢𝑛𝑡
= × 100
(100 - Percent_LOD)) * 100 100 − %𝐿𝑂𝐷
Amount Percent_LOD
Empower- User-entered
calculated Amount value from water
from standards content test

©2019 Waters Corporation COMPANY CONFIDENTIAL 30

 Automated Calculation: 𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠

 Empower allows the calculation of 𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠 to be performed

automatically
 To calculate this, 2 custom fields were created:

Custom Fields Example: AG Sample 1

AssayCorrected_LOD =
(Caffeine[Amount] /
(100 - Percent_LOD)) * 100
𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠
Amount Percent_LOD = (123.551 ÷ (100 – 0.24)) * 100
Empower- User-entered
calculated Amount value from water = 123.848 mg
from standards content test

©2019 Waters Corporation COMPANY CONFIDENTIAL 31

 Automated Calculation: 𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠

 Tabulated calculations in Empower:

AssayCorrected_LOD = (123.551/(100–0.24))*100 = 123.848 mg

Addition of 2 decimal places

AssayCorrected_LOD = (123.55127/(100–0.24))*100 = 123.849 mg

©2019 Waters Corporation COMPANY CONFIDENTIAL 32

 Automated Calculation: 𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠

Custom Fields Formula Calculation in Excel

©2019 Waters Corporation COMPANY CONFIDENTIAL 33

 Automated Calculation: 𝐴𝑠𝑠𝑎𝑦, 𝑜𝑛 𝑎𝑛ℎ𝑦𝑑𝑟𝑜𝑢𝑠 𝑏𝑎𝑠𝑖𝑠

Custom Fields

Let do the job for you.

©2019 Waters Corporation COMPANY CONFIDENTIAL 34

 Custom Fields Conclusion

 Performing calculations within Empower:

– Eliminates transcription errors and saves time
– Swift decision making
– Traceability between reported results and calculations

Target Amount was entered into Empower

Percent Difference is automatically calculated,

with a decision automatically generated
©2019 Waters Corporation COMPANY CONFIDENTIAL 35
 Batch Processing

©2019 Waters Corporation COMPANY CONFIDENTIAL 36

 Batch Processing

 To do Batch Processing,

BROWSE PROJECT

Click on Process to process Sample Set

©2019 Waters Corporation COMPANY CONFIDENTIAL 37

 Batch Processing

 To do Batch Processing,

BROWSE PROJECT

©2019 Waters Corporation COMPANY CONFIDENTIAL 38

 Batch Processing

 After processing, a Result Set is generated

BROWSE PROJECT

Click on Review to review Result Set

Click on Publisher to report Result Set

©2019 Waters Corporation COMPANY CONFIDENTIAL 39

 Batch Processing Conclusion

 Performing batch processing enables:

– Efficient, effective processing of raw data
– Ensures the completeness of the data
– Ensures consistency in data processing
– Keeps all results together with common identifier

©2019 Waters Corporation COMPANY CONFIDENTIAL 40

 Conclusion

 Improve quantitation workflow, achieving higher workflow efficiency and reduce

human errors through:
– Sample Weight Importer: Directly import weights of standards and samples into
Empower
– Custom Fields: Perform advanced assay calculations in Empower
– Batch Processing: Process all standards and samples with a single button
All while improving laboratory data compliance.

 For more information:

– Custom Fields (#82–90, 92, 99): https://blog.waters.com/get-empowered-review-
window-and-the-processing-method-tip-82-custom-fields
– Empower 3 Software Automated Tailored Calculations (720000576EN)
©2019 Waters Corporation COMPANY CONFIDENTIAL 41
 Learnt Something New Today? Stay Tuned for…

 Learn how you can streamline your workflow (with specific examples for the
food industry) with:
– Interactive System Suitability
– Custom Fields Calculations

 If you like to learn more Empower tips, please visit:

https://waters.com/empowertips

©2019 Waters Corporation COMPANY CONFIDENTIAL 42

 Let us know your questions and concerns!

©2019 Waters Corporation COMPANY CONFIDENTIAL 43