kevinkovalchik / RawTools

RawTools is an open-source and freely available package designed to perform scan data parsing and quantification, and quality control analysis of Thermo Orbitrap raw mass spectrometer files from data-dependent acquisition experiments.
Apache License 2.0
64 stars 19 forks source link

-N ignored in 1.4.0-beta QC with IdentiPy #15

Closed kevinkovalchik closed 5 years ago

kevinkovalchik commented 5 years ago

Describe the bug When using IdentiPy in a QC search in v1.4.0-beta, the -N argument seems to be ignored and all spectra are searched. This was observed in issue #10.

Command line arguments RawTools.exe qc -d MP_Symp\ -q MP_Symp\qc_output2 -s identipy --db MP_Symp\ovgu_prodigal_noEnds_human.faa -N 10000

Command line output

C:\Users\benoit.kunath\Documents\Software\RawTools_IdentipyPaths_20181210>RawTools.exe qc -d MP_Symp\ -q MP_Symp\qc_output2 -s identipy --db MP_Symp\ovgu_prodigal_noEnds_human.faa -N 10000
Checking Identipy dependencies
All Identipy dependencies satisfied!
5 file(s) to process

Processing C:\Users\benoit.kunath\Documents\Software\RawTools_IdentipyPaths_20181210\MP_Symp\OVGU_Rep1.raw
Determing MS analysis order... Done!
Extracting scan indices: 100%
Checking for orphaned scans: 100%

================ Scan indexing report ================
Total scans in file: 84591
Scans linked: 84591

Orphan scans:
None!

All scans accounted for!
======================================================

Extracting reaction events: 100%
Extracting scan data: 100%
Extracting trailer extras: 100%
Extracting precursor masses: 100%
Extracting retention times: 100%
Analyzing precursor peaks: 100%
Calculating meta data
  MS1 isolation interference
  MS2 scan cycle density
  Ion injection time
  Duty cycle
  Intensity distribution
  Summed intensities
Calculating metrics
Writing MGF file: 100%
Starting Identipy
   INFO: [10:17:41] Cython modules were not loaded...
   INFO: [10:17:41] Reading defaults from C:\Python27\lib\site-packages\identipy\default.cfg
   INFO: [10:17:41] Reading config from C:\Users\benoit.kunath\Documents\Software\RawTools_IdentipyPaths_20181210\orbitrap_config.cfg
   INFO: [10:17:53] Setting legend: {}
   INFO: [10:17:53] Writing C:\Users\benoit.kunath\Documents\Software\RawTools_IdentipyPaths_20181210\MP_Symp\qc_output2\QcSearchData\OVGU_Rep1.raw.pep.xml ...
   INFO: [10:17:53] Reading spectra ...
   INFO: [10:18:14] 65135 spectra pass quality criteria.
   INFO: [10:18:14] Setting legend: {}
   INFO: [10:18:14] Running the search ...

Desktop & RawTools information:

kevinkovalchik commented 5 years ago

This bug was introduced in 1.4.0-beta. It will be fixed in 1.4.0-beta.3.