Jon Wright a écrit :
Some years ago I did see the reverse process of an x, y, esd file
being mangled by some conversion program on the way to becoming GSAS
format, but I forget the culprit. Quite surprisingly I see GSAS2CIF
also truncates, but at least only corrupts the data by a fraction of
an esd. eg:
BANK 1 9019 1804 CONST 0.200 0.200 0.0 0.0 ESD
26.5 5.7 18.9 4.4 24.4 5.1 17.2 4.4
17.4 4.4
becomes:
hi
in powder (or convert) the stripping is due to the fact that GSAS STD
assumes COUNTS so the ESD are considered to be SQRT(COUNTS). The sequel
of convert is Powder4 ; with this program you can apply directly a
multiplication factor (if you really have to). there is a tutorial on
the CCP14 on this
regards
N. Dragoe
