2 COMPUTER-PROGRAMS FOR THE AUTOMATIC-ANALYSIS OF POWDER DIFFRACTION PATTERNS

Two programs for the automatic analysis of large numbers of powder diffraction patterns have been developed. The first, PEAKFIT, tits functions describing the diffraction peaks and baseline to single or multiple peaks in a number of predefined regions of each powder pattern. The second, FULFIT, fits the entire powder pattern with a combination of functions describing the diffraction peaks and background. The use of these programs is illustrated with data analysed as part of kinetic studies of the I-II phase transition in ammonium chloride and the hydration of tricalcium silicate.