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fileformat:ini [2019/02/21 07:17]
smerkel
fileformat:ini [2019/09/04 13:11] (current)
smerkel
Line 20: Line 20:
     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
  
 ==== Details on parameters ==== ==== Details on parameters ====
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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.
fileformat/ini.1550733455.txt.gz ยท Last modified: 2019/02/21 07:17 by smerkel