Profile fitting semi-manual

Second, is to precisely determine the unit cell dimensions without performing a semi-manual profile fitting (see Chapter 4). 

This value is considerably lower than Rp reachable during full pattern decomposition because the extended background-only ranges are usually excluded from the semi-manual profile fitting. Furthermore, an independent treatment of positions and full widths at half maximum of Bragg peaks observed within the processed range enables a better fit between the observed and calculated intensities. 

The ability to see which Bragg peaks are resolvable with acceptable accuracy and those which are not resolvable, is a benefit available in a semi-manual profile fitting. 

Due to the complexity of the pattern, multiple overlaps (e.g. about 90 Bragg reflections are possible in the range of the first 40 observed peaks below 20 = 40°) and the relatively broad peaks, the pattern decomposition was carried out using a semi-manual profile fitting. For each group of Bragg reflections, located within the manually selected ranges of the powder... 

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