An .ini file is an ASCII file which is used by the GrainSpotter algorithm as an input file. It is automatically created when you perform a simulation with PolyXSim. You can modify the created .ini file for your specific purposes or simply create a new one yourself by modifying the following example.

The .ini file consists of two columns. The left one defines the input parameters, the right one an explanation to it. Explanatory text is initiated by a ! symbol (exclamation mark) to separate it from the actual input data. The GrainSpotter algorithm skips every passage which starts with an exclamation mark. So the explanatory text is just for your help. The algorithm works the same without it. However, you can also use the ! symbol to switch off certain passages of the input parameters (left column) because you don't need them right now, for example in line 2: !dsrange 0 4.2. Note that the order of the lines doesn't matter.

  spacegroup 136                       ! spacegroup [space group nr]
  !dsrange 0 4.2                       ! dsrange [min max], d-spacing range, multiple ranges can be specified
  tthrange 0 25                        ! 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 -28 28                    ! omegarange [min max] degrees, multiple ranges can be specified
  filespecs g_vectors.gve grains.log   ! filespecs [gvecsfile output_file] 
  cuts 5 0.6 0.8                       ! cuts [(min_measuments:grain is chosen if there are at least this amount of peaks per grain) (min_completeness: grain is chosen if there are at least this fraction of the expected peaks present) (min_uniqueness: no idea, just put any number)]
  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
  random 10000                         ! use randomly chosen orientation seeds #trials
  !positionfit                         ! fit the position of the grain