Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

first draft #474

Open
wants to merge 14 commits into
base: ipa_stub
Choose a base branch
from
Open

Conversation

ChangLiuuczlcl8
Copy link
Collaborator

No description provided.

Copy link
Member

@hechth hechth left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

This is a good first step, I made comments on the individual issues. Please feel free to reach out if you have any questions about the individual points.

tools/ipapy2/ipapy2_MS1_annotation.xml Outdated Show resolved Hide resolved
tools/ipapy2/macros.xml Outdated Show resolved Hide resolved
tools/ipapy2/ipapy2_MS1_annotation.py Outdated Show resolved Hide resolved
tools/ipapy2/ipapy2_MS1_annotation.py Outdated Show resolved Hide resolved
<param label="MS1 table" name="MS1_table" type="data" format="csv" help="pandas dataframe containing the MS1 data." />
<param label="all possible adducts table" name="all_adducts" type="data" format="csv" help="pandas dataframe containing the information on all the possible adducts given the database." />
<param label="ppm" name="ppm" type="float" help="accuracy of the MS instrument used."/>
<param label="me" name="me" type="float" value="0.000548579909065" help="accurate mass of the electron. Default 5.48579909065e-04."/>
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

This should not be a user defined parameter I think - it is a natural constant.

tools/ipapy2/ipapy2_isotope_patterns.py Outdated Show resolved Hide resolved
tools/ipapy2/ipapy2_isotope_patterns.py Outdated Show resolved Hide resolved
tools/ipapy2/ipapy2_isotope_patterns.xml Outdated Show resolved Hide resolved
tools/ipapy2/ipapy2_isotope_patterns.xml Outdated Show resolved Hide resolved
tools/ipapy2/ipapy2_isotope_patterns.xml Outdated Show resolved Hide resolved
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

None yet

2 participants