IMTBX+Grppr v5.0.1

IMTBX+Grppr

Contents

• IMTBX_v5.x.x.zip - Everyting in one package: data viewer, peak detector, UI for starting the peak detector and isotopic grouping.
• grppr-0.3.xx.jar - Only the Grppr java program.

Changelog

v5.0.1

• IMTBX update to v5.0.1
  • Important fix for scan Averaging mode, was broken for files with many functions in them.
  • Viewer fix for closing files properly.
• Grppr update to v0.3.21
  • Fix for multi-digit function names.
  • Recognize function number '0' as the default for all functions for '-d' deisotoping
    option. This allows deisotoping of files with unknown number of functions.
  • Fix MS1/MS2 grouping deisotoping config to allow functions other than 1/2 to be used.

v4.4.5

• IMTBX update to v4.5.0
  • Option to skip some errors with mass calibration.
• Grppr update to v0.3.20
  • Several new options
  • Bugfixes

v4.4.1

• IMTBX update to v4.3.0
  • Final fixes for calibration reading in older instruments.
  • Allow calibration coefficients to only be scpeficied for one
    function in HEADER.txt, they will be duplicated to other functions.
  • Code duplicates removed, all reading of coefficients moved to
    a single location.

v4.4.0

• Grppr update to v0.3.15
  • Fix Grppr crashing when input contained some clusters of 1, 2 or 3 peaks that had to be truncated.

v4.3.1

• IMTBX update to v4.2.0
  • Can accept 5 or 6 calibration coefficients in headers.txt

v4.3.0

• Add --allOut option to Grppr to allow writing *.isotopes files along with MGF.
• Add a checkbox to GUI Grppr LCMS-Only section for --allOut.
• Restore last state of the GUI form upon reopening.
• Another fix for how -d deisotoping options were passed from GUI to Grppr.

v4.2.0

• Some bugfixes for IMTBX+Grppr GUI, not all parameters were passed on properly.
• Decrease lower mass boundary for AVERAGINE isotopic cluster detector to 50 from 200. Helps with small molecules if AVERAGINE is by accident used for them.