Graphical assessment of the indexing quality for a given grain

Multigrain indexing output files can be tedious to go through. timelessPlotIndexedGrain, which is part of the TIMEleSS tools is mean to help users to visually assess the quality of a grain indexing.

The script allows to plot the positions of both the measured and predicted peak positions for all peaks in an indexed grain. You can plot the data either as,

• s vs f, in pixels, as you would see in a detector image, albeit with all ω stacked into a single frame,
• η vs. 2θ, with all ω values stacked into a single frame,
• ω vs. 2θ, with all η values stacked into a single frame.

The script allows to to navigate easily between grains in you indexing, which can be quite handy for large datasets.

You can also click on any indexed peak to display a popup window with details regarding the peak: predicted, measured, and differences between predictions and measurements for all 2θ, η, and ω.

timelessPlotIndexedGrain -h

usage: timelessPlotIndexedGrain [options] parfile.prm GSFile.log FLT.flt

Compares predicted and measured peak positions for a grain after indexing. Can
plot as an image, in pixels, or with eta or omega vs. 2theta This is part of
the TIMEleSS project http://timeless.texture.rocks

positional arguments:
  par                   ImageD11 parameter file (required)
  gsfile                Name of GrainSpotter output file (required)
  FLT                   FLT file used to generate g-vectors for indexing
                        (required)

optional arguments:
  -h, --help            show this help message and exit
  -p PLOT, --plot PLOT  What do you want to plot ? "svsf" for s vs f in pixels
                        (i.e. diffraction image), etavs2theta for eta vs. 2
                        theta, omegavsttheta for omega vs. 2 theta. Default is
                        svsf.
  -g GRAIN, --grain GRAIN
                        Grain number. Default is 1.