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![[Figure 5]](aj5076fig5mag.jpg)
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Figure 5
(a) Fitting peak positions after estimation of the unit-cell parameters and their insertion into the `Cell Dialog' box. Determination of the pattern centre, rotation, tilt and the camera length is needed first. Selecting `Generate' in the `Cell Dialog' box plots the predicted peaks on layer-lines and row-lines as shown here as small yellow circles. (b)–(g) Stages in the fitting of intensities using FTOREC and LSQINT. (b) is the FTOREC, quadrant-folded, image from (a), and (c) and (d) are the fitted background and original minus background from (b). (f) is the NOFIT image from LSQINT, which just fits the peak shapes and positions, but not their intensities. (g) is the final set of peak intensities fitted by LSQINT to the profiles in (f). A test of whether all is well is shown in (e), which is the sum of the fitted peaks in (g) and the background in (c). It can be compared directly with the original FTOREC image in (b). |
![[Figure 5]](aj5076fig5.jpg)
 | JOURNAL OF APPLIED CRYSTALLOGRAPHY |
ISSN: 1600-5767
