This section shows typical .ini files for different versions of GrainSpotter.

Note that a ! indicates the line is a comment.

V 0.8

spacegroup 4 ! spacegroup [space group nr]
!dsrange 0 0.35 ! dsrange [min max], d-spacing range, multiple ranges can be specified. Define either d-spacing or tth
tthrange 0 9.2 ! tthrange [min max], multiple ranges can be specified. Define either d-spacing or tth
etarange 0 360 ! etarange [min max], multiple ranges can be specified
domega 0.5 ! domega [stepsize] in omega, degrees
omegarange -90 90 ! omegarange [min max] degrees, multiple ranges can be specified
filespecs gvectors.gve grains.log ! filespecs [gvecsfile grainsfile]
cuts 20 0.8 0.5 ! cuts [min_measuments min_completeness min_uniqueness]
eulerstep 6 ! eulerstep [stepsize] : angle step size in Euler space
uncertainties 0.1 0.2 .5 ! uncertainties [sigma_tth sigma_eta sigma_omega] in degrees
nsigmas 2 ! nsigmas [Nsig] : maximal deviation in sigmas
minfracg 0.8 ! stop search when minfracg (0..1) of the gvectors have been assigned to grains
!Nhkls_in_indexing 15 ! Nhkls_in_indexing [Nfamilies] : use first Nfamilies in indexing
random 10000 ! use randomly chosen orientation seeds #trials
!positionfit ! fit the position of the grain

V 0.35

spacegroup 4 ! spacegroup [space group nr]
!dsrange 0 0.35 ! dsrange [min max], d-spacing range, multiple ranges can be specified
tthrange 0 9.2 ! tthrange [min max], multiple ranges can be specified
etarange 0 360 ! etarange [min max], multiple ranges can be specified
domega 0.5 ! domega [stepsize] in omega, degrees
omegarange -90 90 ! omegarange [min max] degrees, multiple ranges can be specified
filespecs gvectors.gve grains.log ! filespecs [gvecsfile grainsfile]
cuts 20 0.8 0.5 ! cuts [min_measuments min_completeness min_uniqueness]
eulerstep 6 ! eulerstep [stepsize] : angle step size in Euler space
uncertainties 0.1 0.2 .5 ! uncertainties [sigma_tth sigma_eta sigma_omega] in degrees
nsigmas 2 ! nsigmas [Nsig] : maximal deviation in sigmas
!minfracg 0.2 ! stop search when minfracg (0..1) of the gvectors have been assigned to grains
!Nhkls_in_indexing 15 ! Nhkls_in_indexing [Nfamilies] : use first Nfamilies in indexing

V 0.3

spacegroup 4 ! spacegroup [space group nr]
tthrange 0 9.2 ! tthrange [min max], one range can be specified
etarange 0 360 ! etarange [min max], one range can be specified
domega 0.5 ! domega [stepsize] in omega, degrees
omegarange -90 90 ! omegarange [min max] degrees, multiple ranges can be specified
dataspecs gvectors.gve grains.log ! filespecs [gvecsfile grainsfile]
cuts 20 0.8 0.5 ! cuts [min_measuments min_completeness min_uniqueness]
eulerstep 6 ! eulerstep [stepsize] : angle step size in Euler space
uncertainties 0.1 0.2 .5 ! uncertainties [sigma_tth sigma_eta sigma_omega] in degrees
nsigmas 2 ! nsigmas [Nsig] : maximal deviation in sigmas
!Nhkls_in_indexing 15 ! Nhkls_in_indexing [Nfamilies] : use first Nfamilies in indexing