RAW 2.1.2 released

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jesse.b...@gmail.com

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May 23, 2022, 3:02:32 PMMay 23
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I'm pleased to announce the release of RAW version 2.1.2. This version contains mostly minor bug fixes. Significant changes include:
  • Added a prebuilt version for arm64 chips on MacOS (Apple Silicon).
  • Removed Windows 7 and 8 support form the prebuilt version for Windows.
  • Added support for Eiger2 images from BioCAT.
  • Improved handling of multi-image files.
  • Adds a new dependency on mmcif_pdbx to read mmcif files.

NOTE: As of now, RAW is not compatible with ATSAS 3.1.0, which is currently available for download as a pre-release. This is because ATSAS 3.1.0 is currently missing several important programs, such as some of the DAMAVER set of tools, so we can't test against that. Once ATSAS 3.1.0 is officially released we will update RAW as necessary to support it.

All changes:
  • Fixed a bug that prevented normalization by a BioCAT header counter if it was the last counter in a line.
  • Improved buffer region finding in the series analysis.
  • Fixed a bug where the GNOM window raised an error if Dmax wasn't found automatically.
  • Fixed a bug where a series buffer region wasn't found if there were no peaks present in the data set.
  • Fixed a bug where REGALS results would show two lines for the same concentration curve when it wasn't supposed to.
  • Fixed a bug where validation of the REGALS settings could cause an error.
  • Fixed a bug where changing the range for REGALS in the SVD plot when there were previous REGALS results could cause an error.
  • Fixed a bug where using the qmin or qmax boxes in the series adjustment panel could cause an error.
  • Fixed a validation issue in REGALS.
  • Added ability to read in Eiger2 images from BioCAT and associated headers.
  • Added log binning for azimuthal integration.
  • Fixed a bug in error propagation on binning.
  • Fixed a bug where auto centering in the calibration panel didn't work on Eiger images.
  • Fixed a bug were SASRES resolution couldn't be read out of the damsel.log file in newer versions of ATSAS (>=3.0.4).
  • Improved azimuthal integration speed.
  • Image display for Eiger2 and Pilatus images now ignores bad pixels and detector gaps when automatically setting min and max values.
  • Fixed a bug where series buffer and sample ranges wouldn't print in the report if there wasn't also EFA or REGALS data.
  • Fixed a bug where moving a polygon or square mask wouldn't regenerate the mask in RAW unless you saved and reloaded the settings.
  • Fixed a bug where if a profile had a non-zero starting q index, autorg would return the wrong start index, which could cause it to fail in the GUI.
  • Fixed some off by one errors in the start and end points for some of the ATSAS functions in the API.
  • Improved speed of GNOM calculation in the GNOM window.
  • Fixed a bug with the initial start point not getting set correctly for some IFTs in GNOM.
  • Added an option (on by default) where masked pixels are excluded from automatic scaling in the image viewer.
  • Improved file handling for multi-image files to significantly reduce memory usage.
  • Removed GNOM options not available in gnom5.
  • Fixed a bug where if alpha wasn't the default value the GNOM window didn't initialize with the correct alpha.
  • Fixed a bug where the show plot buttons (1&2, 1, or 2) weren't working correctly with matplotlib >=3.4.
  • Dropped support for Windows 7 and 8 in the prebuilt version.
  • Added a prebuilt version for arm64 chips on MacOS (Apple Silicon chips).
  • Updated DENSS to the current version.
  • Made RAW mostly dark mode compatible on MacOS (requires wxpython>=4.1.1). May not work in the pre-built version for Intel macs.
  • Fixed a bug where DENSS symmetry settings other than 0 would cause an error when the DENSS window was opened.
  • Added some initial compatibility with ATSAS 3.1.0, but this is not finished because the pre-release version of ATSAS doesn't have several of the necessary programs for testing. Main change is mmcif compatibility for dammif outputs.
  • Added a new dependency on mmcif_pdbx for reading mmcif files.
  • Fixed an issue with spin controller display sizes in GTK3 (some linux installs).
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