1.0.5

What's Changed

Spectral Averaging

• New Averaging task introduced that averages multiple MS1 spectra to increase signal-to-noise in top-down spectra

MetaDraw Changes

• Spectral similarity between library and experimental spectra is now calculated on the fly - just check the "Spectral Angle" check box in Settings/Spectra Annotation
• Export spectral library from MetaDraw by selecting multiple spectra (Ctrl+click) and clicking the "Export Spectral Library" button
• New fragment ions - zPlusOne - added to the custom ion selection
• General quality of life changes - Speed increases, font-size increases, and ion changes to the way ion annotations are displayed
• Fixed issue where MetaDraw would crash when viewing ambiguous glyco-peptides

Crosslink Spectral Library

• Spectral libraries can now be created for crosslinked spectra and used for visualization in MetaDraw (Crosslink spectral library search isn't currently supported)

PTM Stoichiometry Bug Fix

• Fixed issue where the ratio of modified to unmodified residues in a protein was calculated incorrectly

TMT-10 Bug Fix

• Fixed issue where incorrect ions were being selected/displayed when searching TMT-10 data

Update mzLib from 1.0.541 -> 1.0.542

- Encyclopedia formated peptide full sequence including mass shift in brackets by @trishorts in #726
- EncyclopeDIA amodified peptides format mass shift by @trishorts in #730
Disabled Development Tests from Running Automatically by @nbollis in #731
- Raw file connection not closing by @elaboy in #709
- Above Averaging Algorithm Rework and Crash Fix by @nbollis in #739
- Allowed reading of scan descriptions from Raw Files by @nbollis in #736
- Toppic search result reading by @nbollis in #735

Full List of PRs

• Ms2scan with specific mass eliminate unused code by @trishorts in #2303
• Added SpectralAveraging.dll to project.wxs by @nbollis in #2310
• Compute spectrum similarity in meta draw by @trishorts in #2299
• Added zPlusOne to custom ion selection by @nbollis in #2311
• MetaDraw Update: Font size increase, loading speed up, peak annotation display change by @nbollis in #2313
• Glycopeptide label free quantification LFQ by @trishorts in #2309
• Removed 131C ions from TMT10 by @Alexander-Sol in #2314
• Glyco Visualization Crash Fix on ambiguous protein from peptide by @nbollis in #2317
• Mzlib Update to 1.0.542 - Averaging crash fix+ by @nbollis in #2318
• bug fix Modification Info List which reports the the modification stoichiometry in PSM counts and fractions on the full protein sequence by @trishorts in #2321
• Hydroxy proline diagnostic ion error by @trishorts in #2324
• Xl spectral library by @Alexander-Sol in #2292

Full Changelog: https://github.com/smith-chem-wisc/MetaMorpheus/compare/1.0.4...1.0.5## What's Changed