IA - Final Checklist

This is a self-evaluation for the IA final submission.

Each category (e.g. formatting) contains a list of items to check: place a check by each item (e.g. page
numbers) that you have completed, and sum the number of checkmarks to track how you fare. Award
yourself a checkmark for the subcategory (e.g. cross-references) only if all of the items under it are
fulfilled.
Your IAs covers a broad range of topics, and maybe some boxes would be unchecked; however, you
should be able to justify why they should be unchecked.

1 Communication

Communication Consistent endnote / footnote for-

mat
Title
Chemical names are NOT capitalized
Candidate number (no name)
Writing
Date
3rd person (i.e., not “I did the experi-
Page count
ment”)
Page numbers present
past tense
12 pages or less
passive voice
Cross-references
Paragraphs flow coherently, not frag-
Figures (images, graphs) are labeled as Fig mented ideas
X. [...]
Precise usage of nouns (e.g., atom vs
Tables are labeled as Table 1. [...] molecule vs element vs particle...)
Table titles are not duplicated in graph and Precise usage of adjectives (e.g., not
caption “longest mass”, “bigger energy”...)
Citations Numbers
All ideas / content by others are use . as decimal separator
sourced
values less than 1 are “0.123” (instead of
Pasted images explicitly sourced in cap- “.123”)
tion
use proper superscript e.g., 104 notations
Consistent formatting in text (not 10e4)

1
 -2- IA Final Checklist

2 Exploration

Variables evidences
The independent variable is stated citations
range investigated stated and justi- State what is unknown
fied
Compound class
The dependent variable is stated
State the classes of compounds to investi-
Control variables gate
Set out as a table Explained why the class was chosen
Column headers Given evidence to support claim
variable, Explained why only this class was cho-
sen
reason needed for control, and
Computation
how it will be controlled / moni-
tored Stated what databases / calcs will be
used
Research question
Described the principle of how the
...is a question
database / calc work
The context / scope is clearly identified
A friend have read and understood what
selection of molecules investigated it is
method used Explained why this database / calc is ap-
propriate
Allude to independent variable
Given evidence to support the
Allude to dependent variable
claim
Hypothesis
Compared with alternatives
Stated expected relationship
Databases used correctly
expected relationship is quantitative
By what organization
give graph as needed
Contents
Explained why proposed relationship is ex-
Where the data came from
pected
Scope
give evidence to support claim
ICT Exploration
Uncertainties
Background
Potential errors
Explain why this topic is important
Dates of access
Explain why this topic is interesting to
you Why this is better than alternatives
State what is already known Evidence
 -3- IA Final Checklist

Procedure undertook to verify data Stated which PDB was used

points
Explanation for why chosen PDB is
Molecular modeling used correctly best
Explained the tools used (e.g., WebMO, appropriate
GAMESS, EMSL arrows, NWChem,
etc) relevant (you cannot check these two
boxes without having read the paper in
Stated versions of each some depth!)
Cited each tool used Cited original paper
Stated class of calc (e.g., ab initio, mol Described what is known about the protein-
mech) ligand system investigated
Explanation for why this is appropri- Described what else is known about the
ate protein-ligand system investigated (e.g.,
Evidence to support choice binding constants, other ligands)

Stated level of theory ICT Method

Explanation for why this is appropri- Molecules

ate Listed all molecules to be investi-
Evidence to support choice gated
Stated basis set Used structural formula
Explanation for why this is appropri- Explained why the collection was cho-
ate sen
Evidence to support choice Given evidence to support claim
Stated kind of calculations to be done (e.g., Explained why only these are cho-
“geom opt followed by...”) sen
Explanation for why this is appropri- Step-by-step explanation of what needs to
ate be done
Evidence to support choice A friend verified their understanding
Docking used correctly Experimental Context
Stated the tools used (e.g. Autodock, Py- Background
MOL, ADT)
Explain why this topic is important
Described what this does
Explain why this topic is interesting to
Explanation for why this is appropri- you
ate
State what is already known
Evidence to support choice
evidences
Cited the tools used
citations
Crystal
State what is unknown
Explained why a protein-ligand crystal is
needed Compound class
 -4- IA Final Checklist

State the classes of compounds to investi- Total volume (if liq / solution)
gate
Total mass (if solid)
Explained why the class was chosen
Listed supplier (if specialty) chemi-
Given evidence to support claim cal
Explained why only this class was cho- Equipment
sen For all lab glassware needed
Experiment Size / volume
Stated what experimental method will be Uncertainties
used
For all equipment needed
Cited sources
Model
Described the principle of how the experi-
ment works Manufacturer
Interface with computer (if needed)
A friend have read and understood what
it is Software used for interaction (if
needed)
Explained why this experiment is appropri-
ate Safety / ethics / env. consideration
Given evidence to support the Attached Material Safety Data Sheet
claim (MSDS) for relevant chemicals as ap-
pendix
Compared with alternatives
Safety procedures
Experimental Method
Disposal of chemicals
Background calculations
Step-by-step explanation of what needs to
Basic factual data be done
Processing of factual data to determine Method is reliable
conc/vol needed
Method is sufficient
Chemicals
Method is relevant
For all chemicals needed
Not overly detailed (e.g. “put label on
Used structural formula (if neces- flask”)
sary)
A friend verified their understanding of your
Concentration (if solution) prose
 -5- IA Final Checklist

3 Analysis

Analysis NOT a screenshot

Raw data Sample calculation shown
Quantitative Explained assumptions in calc
Qualitative observations Includes uncertainty calculation
Graphs Explained assumptions in treatment of
Axis labels uncertainty

Axis units All numbers to appropriate sig figs

No duplicate title in graph and text Appropriate data processing

Appropriate scaling (no empty space) Calculated % precision (if approp.)

Regressions Calculated % error (if approp.)

equation displayed Expressed final result prudently (see topic

11 notes)
R2 shown
Processed data interpreted (not just stating,
Tables
but giving meaning to numbers)
Units
Comparing with benchmark values
Uncertainties
Commented on % prec – % err compari-
Sig figs son

4 Conclusion and Evaluation

Conclusion and Evaluation reproducible”)

Conclusion Comprehensive (includes sufficient
causes)
Results stated explicitly
Relevant (no extra fluff)
Quantitatively
Impacts of assumptions
Relates and resolves RQ
Particular strengths of this work
Compared against known scientific con-
text Improvements

Evaluation Specific (cut “do more experi-

Limitations of data (what was neede but
unknown?)
Sources of errors
Specific (cut “human errors”, “maybe not
ments”)
Addresses issues identified in Ev
Proposed extensions (research directions)
based on findings here (what remains un-
known/unexplained?)