# If two or more phases are included in the sample, repeat the input of # parameters (scale factor or later) after structure parameters in the # previous phase. Do not enter labels that have already been input.
f NMODE <> 1 then # Input linear constraints for parameters with ID(I) = 2. A parameter with # ID(I) = 2 is place at the left side, and equations to calculate it from other # parameters with ID = 1. "Linear" means that the equation is linear with # respect to parameters contained in the right side. Linear constraints can
# where 'X' is a label (site name). Please replace it with another label. # Comments ('#'+integer) at the tails of these lines denote reference numbers in # W. J. A. M. Peterson and J. H. Palm, Acta Crystallogr. 20 (1966) 147.
# Backgrounds at other data points are fixed at interpolated values. Such a # manner is useful for the analysis of diffraction patterns where the number of # reflections are relatively small and the background curve is complex, for # example, having humps.
If NMODE <> 1 then NPAT = 0! Output no file to plot Rietveld-refinement patterns. NPAT = 1! Not implemented. NPAT = 2! Ouput a RietPlot file to plot Rietveld-refinement patterns. NPAT = 3! Not implemented. NPAT = 4! Output a gnuplot text file to plot Rietveld-refinement patterns. NPAT = 5: Output an Igor text file to plot Rietveld-refinement patterns. # NPAT = 4 (every OS) or 5 (Mac OS and Windows) is recommended. end if