smith-chem-wisc / MetaMorpheus

Proteomics search software with integrated calibration, PTM discovery, bottom-up, top-down and LFQ capabilities
MIT License
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Averaging task in MetaMorpheus #2281

Closed nbollis closed 1 year ago

nbollis commented 1 year ago

Wiki page is available here https://github.com/smith-chem-wisc/MetaMorpheus/wiki/Averaging-Task The wiki page is also linked on the averaging task window and the main MM about tab Implementing spectral averaging as a task in MetaMorpheus

image

Averaging options will be set just like other tasks within MetaMorpheus and defaults are able to be saved. There are three preset averaging methods available just by clicking the buttons in the upper left image It operates on the same principles as the calibration task, where it will create a new mzML from the input file and use that for downstream tasks.

It has been tested on-line by performing calibration -> averaging -> gptmd -> search Results were identical to me calibrating, averaging that calibrated file off-line, then performing a GPTMD and search task.

Output files for the above example appear as follows image

Task Settings image

Averaging Task Folder image

results.txt image

codecov[bot] commented 1 year ago

Codecov Report

Merging #2281 (0c6f90d) into master (2729265) will increase coverage by 0.02%. The diff coverage is 94.44%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master    #2281      +/-   ##
==========================================
+ Coverage   91.92%   91.95%   +0.02%     
==========================================
  Files         133      135       +2     
  Lines       20272    20481     +209     
  Branches     2824     2853      +29     
==========================================
+ Hits        18635    18833     +198     
- Misses       1156     1160       +4     
- Partials      481      488       +7     
Impacted Files Coverage Δ
MetaMorpheus/TaskLayer/MetaMorpheusTask.cs 87.26% <ø> (ø)
MetaMorpheus/TaskLayer/EverythingRunnerEngine.cs 77.88% <80.00%> (-0.34%) :arrow_down:
...s/TaskLayer/AveragingTask/SpectralAveragingTask.cs 92.78% <92.78%> (ø)
...ViewModels/SpectralAveragingParametersViewModel.cs 97.24% <97.24%> (ø)