Dioptas

Latest version: v0.6.0

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0.4.1

New Features:
- easier step selection for pressure, temperature in the phases widget and scaling and offset in the overlay widget,
the steps are now selected by a spinbox which behaves more or less logarithmically (0.1, 1, 5, 10, 50, 100 etc.)
- the solid angle correction can now be switched off and on (please see the X-tab in the Integration View)

Bug Fixes:
- Overlays overlays are now recovered in order when opening a previously saved project with more than 10 overlays
- cif and jcpds now als can handle trigonal symmetry (not only hexagonal)
- auto zoom for cakes works now correctly when browsing through several files
- entering numbers with a "," as a decimal separator work now correctly
- loading new files with automatic background subtraction enabled will now correctly keep the x limits constant

0.4.0

New Features:
- added the possibility to work with multiple detector configurations at the same time (enabled by the C button on the upper left)
- all your work (including mutliple configurations) can be saved into project files
- Dioptas can restore the previous working session on start
- there is now a Dioptas icon instead of the generic python icon
- unmasking geometric shapes are now green instead of red, to clarify which mode is selected
- added the option to use arcs for masking
- Dioptas is now completely Python 3.5/3.6 compatible
- Dioptas can now save pattern files as "FXYE" files (GSAS-II format)
- background subtracted or other modified (absorption correction etc.) Images can now be saved in batch mode
- lists of phases including their pressure and temperature values can now be saved and loaded
- the cake mode in the integration window now shows azimuth and tth/q axes
- the cake image can now be shifted in azimuth, to have a better possibility to view features which where before only at the edges

Bug Fixes:
- fixed issues with changing units when having automatic background subtraction enabled
- strong zooming into pattern view will not cause an error due to rescaling of the phase lines anymore
- fixed issue with compromised Dioptas settings files, Dioptas will now start even if the settings can't be loaded
- fixed strange masking artifacts at the edges when using the polygon masking tool
- fixed undock/dock process, which was not working propoerly (only image was shown without pattern after docking the img widget
- fixed image view scaling when loading differently sized images or switching between cake and image mode
- fixed the CeO2 calibration file (there was a (9,0,0) reflection, which does not exist, instead at close position here should be a (8, 4, 0) reflection)

0.3.1

New Features:
- added compatibility for *.spe files (from Princeton instruments).
- added capability for beamlines using epics and Image Tags to move to the position where the image was collected
- added a new error Dialog which will popup on any error and show the error message, which then can be send to
clemens.preschergmail.com, so I can fix it

Bug Fixes:
- cif files with errors in atomic coordinates can now be loaded too
- adding AMCSD cif compatibility
- fixed an error with file paths on windows causing it to not load any cif files
- fixed some typos
- fixing bug with fit2d parameter input
- fixing bug with background image loading

0.3.0

New Features:
- It is now possible to load *.cif files in the Phase tab in the integration module. Loading a cif file will
automatically calculate the intensities of all hkl with a given minimum intensity and minimum d spacing.
- Dioptas can now load tiff tags and display them in a separate window. This is very practical if the beamline
setup writes extra information as tags into the tif file such as position or exposure time etc.
- The overlay tab has a new waterfall feature which automatically creates a waterfall plot with a given offset of
all loaded overlays, whereby the most recent one is closest to the current integrated pattern.
- the selected region and image shading is now synchronized between the calibration, mask and image view
- negative pressures are now allowed for phases, although unphysical, it might give some hint when searching for a
matching structure. The bulk modulus here is kept constant with pressures below 0. (Since the Birch Murnaghan EOS
misbehaves at these conditions).
- There is now a white cross marking the clicked position on the image in the Integration module. This marker will
move to the corresponding position when switching between 'cake' and 'image' mode. This allows for tracking of
individual peaks easily.
- The default filename for the "save mask", "save pattern" and "save image" file dialogs will be the current image
basename with the appropriate extension.
- Added a lot more calibrants from pyFAI library. All NIST calibrants should be present with the appropriate
references in the files.
- Dioptas has been completely refactored by rewriting almost all of the GUI code, which will make future releases
much faster, so stay tuned

Bug Fixes:
- mar345 files are now correctly loaded
- autoprocessing of files, i.e. automatically loading newly collected files should now be much more reliable and
especially the check for new files takes much less network bandwidth
- jcpds editor content is now properly updated with the values of a newly added phase, which will be the new
selected one
- calculation of d-spacings for monoclinic space group jcpds is now correct, there was a sign error in the last term

0.2.4

New Features:
- Gui reorganization in the integration view: (1) autoscale button and transparent mask button are now shown within
the image view. (2) the quick action buttons save image, save pattern etc. are now shown in the pattern widget
- automatic background subtraction under BKG tab in the integration window. can also be accessed from
the bg button in the pattern widget. By pressing inspect it shows both the original pattern and background
within the limits for the extraction process. Please adjust the parameters according to your data.
- File browsing step can now be modified to be different from 1 by entering an integer in the step text field
below the arrows.
- The absorption lengths for the diamond and seat corrections can now be adjusted. (They should be chosen according
to the energy used for the XRD experiment)

0.2.3

New Features:
- Dioptas now saves the calibration when closing and will automatically open after restarting the program
- mask files are now saved in a compressed tif format which reduces the file size from before 16 Mb to now less than
40 kb
- Added the option to use "Oblique Incidence Angle Detector Absorption correction", which basically corrects for the
angle dependent path length in the detector scintillator and tries to correct the intensities correspondingly.
This is especially useful at very high energies.
- the cBN seat correction has been upgraded to include an Offset and Offset tilt parameter which corrects for
misalignment of the sample in respect to the cBN seat
- both, cBN seat correction and Oblique Incidence Angle Detector Absorption correction have been moved to a new tab
("Cor") in the Integration window

Bug Fixes
- fixed a bug which was causing Dioptas to crash when auto-processing new files and the rate of new files in the folder
was faster than Dioptas could process them
- fixed a bug which was causing the first calibration to fail for images with a different pixel size than 79um
- fixed a bug which was causing the pixel size not to update when loading a calibration "*.poni" file
- fixed a bug which was producing NAN intensity values in saved spectra when using masks

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