v0.0.29

What's Changed

• Migrate build system from Poetry to Hatchling with dynamic versioning by @Copilot in #74
• Remove conda recipe and .DS_Store files; update .gitignore by @Copilot in #76
• Minor changes and refinements by @ypriverol in #75
• Support multiplexing in diann2msstats by @yueqixuan in #77
• Mirnor changes for plexDIA and msstats by @ypriverol in #78

Full Changelog: v0.0.28...v0.0.29

v0.0.28

What's Changed

• Fix .d.zip extension bug in run names by @yueqixuan in #72
• Dev by @ypriverol in #73

New Contributors

• @yueqixuan made their first contribution in #72

Full Changelog: v0.0.27...v0.0.28

v0.0.27

What's Changed

• New version including changes in SDRF validation, remove validation of simple txt files by @ypriverol in #69
• minor changes by @ypriverol in #70
• version increase by @ypriverol in #71

Full Changelog: v0.0.26...v0.0.27

v0.0.26

What's Changed

• Changes DIANN convert to MSStats by @ypriverol in #67
• bump version by @ypriverol in #68

Full Changelog: v0.0.25...v0.0.26

v0.0.25 - Remove DIANN to mzTab

What's Changed

• bug fixing for quantms-utils and .d conversion to parquet information. by @ypriverol in #66
• Remove the DIANN to mzTab support, this will be replaced in the future by QPX format
• Remove the mzmlstatistics for .d timsTOFF instruments
• Fix multiple bugs with paths; etc.

Full Changelog: v0.0.24...v0.0.25

v0.0.24

What's Changed

• fixed diann PTM parse bug by @daichengxin in #57
• update dev by @ypriverol in #58
• Dev by @daichengxin in #62
• Extract MET_LOSS_MODIFICATION constant from hardcoded string by @Copilot in #60
• Implement lazy initialization for UnimodDatabase by @Copilot in #63
• Remove unreachable else block in get_mod function by @Copilot in #64
• Dev by @daichengxin in #65
• Update changes in PTM diann handling by @ypriverol in #59

New Contributors

• @Copilot made their first contribution in #60

Full Changelog: v0.0.23...v0.0.24

v0.0.23

What's Changed

• Bump sdrf version by @fabianegli in #55
• increase SDRF version to 0.0.32 by @ypriverol in #56

New Contributors

• @fabianegli made their first contribution in #55

Full Changelog: v0.0.22...v0.0.23

v0.0.22

What's Changed

• Fix bug for strange spectra with 0 mz, intensity in ms2 mzMLs by @ypriverol in #54

Full Changelog: v0.0.21...v0.0.22

v0.0.21

What's Changed

• support DIA-NN 2.1.0 by @daichengxin in #52
• Added support for DIA-NN version 2.1.0 by @ypriverol in #53

Full Changelog: v0.0.20...v0.0.21

v0.0.20

This major release includes functionalities to compute ms1, m2 features on mzml files.

What's Changed

• Improve parameters, logging, examples files and feature detection for mzmml statistics. by @ypriverol in #47
• Fix bruker issues. by @ypriverol in #48
• MS1Feature Finder output to parquet. by @ypriverol in #49
• Dev by @ypriverol in #50
• Update github actions, more examples added, remove filtering of features based on percentile tic. by @ypriverol in #51

Full Changelog: v0.0.19...v0.0.20