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fileformat:ini [2019/02/21 07:16] smerkel |
fileformat:ini [2019/09/04 13:11] smerkel |
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random 10000 ! use randomly chosen orientation seeds #trials | random 10000 ! use randomly chosen orientation seeds #trials | ||
!positionfit ! fit the position of the grain | !positionfit ! fit the position of the grain | ||
+ | !genhkl ! generate list of reflections | ||
- | Definition for each parameters is below. This is a copy and paste from the original [[]][[https://sourceforge.net/p/fable/wiki/grainspotter/|GrainSpotter manual]]. | + | ==== Details on parameters ==== |
- | Below is a guide to the definition and use of the keywords in the ini file | + | Definition for each parameters is below. This is a copy and paste from the original [[https://sourceforge.net/p/fable/wiki/grainspotter/|GrainSpotter manual]]. |
spacegroup number | spacegroup number | ||
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This flag is toggled off by commenting the line out. When the flag is set, the condition for identifying a grain will include a test of whether all refelctions appear to emerge from the same spatial position. The center-of-mass position will be part of the optimisation process for a given grain and it will be written to the output grains file. | This flag is toggled off by commenting the line out. When the flag is set, the condition for identifying a grain will include a test of whether all refelctions appear to emerge from the same spatial position. The center-of-mass position will be part of the optimisation process for a given grain and it will be written to the output grains file. | ||
+ | |||
+ | genhkl | ||
+ | |||
+ | If this parameter is set, the list of theoretical hkls is generated internally by GrainSpotter based on the unit cells on top of the g-vectors files and the spacegroup in the GrainSpotter input file. If the parameter is not set, the list of theoretical hkls is read from the g-vectors file. |