Dear colleagues,
may be, that I have comprehension problem. The Bragg R-value is named R(F**2) in
GSAS and wR2 in SHELX and defined in the same manner.
when I extract the reflexion intesities using a LeBail fit and write them into a
hklf6 formatted file, SHELX should refine the structure
Dear Friedrich,
There are inequivalent reflections that overlap even in cubic
structures; those where h^2+k^2+l^2 are the same will have identical
d-spacings (e.g. 300 221, 410 322). Check through the list of
reflections to see those that have identical d-spacings; these are also
listed in the
