IMTBX+Grppr with Viewer and GUI v4.4.1

IMTBX+Grppr

Contents

• IMTBX_v4.x.x_with-View-UI-Grppr.zip - Everyting in one package
• IMTBX_v4.x.x_with-View-UI.zip - IMTBX, Data Viewer, GUI. Grppr needs to be downloaded separately and put in the same folder as ImtbxGrpprGui.exe
• grppr-0.3.xx.jar - Only the Grppr program

Changelog

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.