Final fixes for calibrtion readin in older instruments

Author: chhh

CHANGELOG.md

@@ -0,0 +1,40 @@
+# 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.

ImsTopdownUi/imtbx-grppr-ui.props

@@ -1,4 +1,4 @@
-version.gui.published.last = 4.4.0
-version.imtbx.published.last = 4.2.0
+version.gui.published.last = 4.4.1
+version.imtbx.published.last = 4.3.0
 version.grppr.published.last = 0.3.15
 url.download = https://github.com/chhh/IMTBX/releases/latest