In-house programs

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.