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.
- 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.
- IMTBX update to v4.5.0
- Option to skip some errors with mass calibration.
- Grppr update to v0.3.20
- Several new options
- Bugfixes
- 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.
- 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.
- IMTBX update to v4.2.0
- Can accept 5 or 6 calibration coefficients in headers.txt
- Add
--allOutoption 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
-ddeisotoping options were passed from GUI to Grppr.
- 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.