BondComparerDOS – A program for comparing numbers (such as bond distance lengths) with standard deviations. Runs from the command line.
G1 estimates the molecular volume, linear absorption coefficient, and conducts elemental analysis.
G4_fcf_filter – this crystallographic program reads CIF and FCF files, suggests outlier reflections, and can create a new INS file. The reference for the general approach is Prince, E., Nicholson, W.L. (1983) Acta Cryst A39, 407-410. For the suggested value for the cutoff see Rollett J.S. (1988) Crystallographic Computing 4, 149-166, Oxford University Press.
An outlier-filtering utility is available as an html file. It required CIF and FCF files, identifies outliers, determines their significance, and generates OMIT instructions that can be copied and pasted into the SHELXL instruction file. It should be self-explanatory, but don’t hesitate to reach out to me with questions. I recommend downloading the html file and bookmarking it for full functionality.