All notable changes to this project will be documented in this file. The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.
baseline_correction()
function:- Fixed an issue where the
Random=False
part was yielding an error.
- Fixed an issue where the
filter_PSMs()
andfilter_peptides()
functions:- Changed the order of filtering; removal of any TMT channels with at least one NA value is now performed at the end.
filter_PSMs()
andfilter_peptides()
functions with several enhancements:- Updates in
filter_PSMs
:- Removed filtering for TMT channels with at least one NA value.
- Other filtering criteria remain unchanged.
- Updates in
filter_peptides
:- Removed filtering for TMT channels with at least one NA value.
- Updates in
PSMs_to_Peptide()
function:- Separates the functionality from
baseline_correction
for merging PSMs into peptides using specified columns. - Auto-detects 'Theo. MH+ [Da]' column using regular expressions even if the name does not fully match.
- Separates the functionality from
- The script now supports PSMs and Peptide file processing for both MS2 and MS3 measurements across both
PD_input
andplain_text_input
classes. filter_peptides()
function now specifically works for peptide files.- Added
filter_PSMs()
function for PSM files, removing isolation interference > 50%. - Updated
extract_heavy()
andextract_light()
functions to support a broader range of labels. - Major updates to
baseline_correction()
function:- New usage parameters and functionality adjustments.
- Improved baseline correction process and integration with PSM and Peptides file identification.
filter_peptides()
function:- Enhanced to remove sum of intensities equal to 0.
- Now converts NaN values to 0 for cleaner data handling.