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Xscale: Difference between revisions
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CRYSTAL_NAME=Pt | CRYSTAL_NAME=Pt | ||
'''A word of warning''': even if the internal quality indicators (R-factors) are better when using this feature, there is no guarantee that the resulting intensities will actually be better suited for your purposes than those obtained without it. In particular, extrapolating to the ends of the dose interval (0 dose and full dose) decreases the precision of the intensities. The optimal points for interpolation are near 1/4 and near 3/4 of the total dose. | '''A word of warning''': even if the internal quality indicators (R-factors) are better when using this feature, there is no guarantee that the resulting intensities will actually be better suited for your purposes than those obtained without it. In particular, extrapolating to the ends of the dose interval (0 dose and full dose) decreases the precision of the intensities. The optimal points for interpolation are near 1/4 and near 3/4 of the total dose. Details are published in [http://dx.doi.org/10.1107/S0021889808036716 Diederichs, K., Junk, M. (2009) Post-processing intensity measurements at favourable dose values. ''J. Appl. Cryst.'' '''42''', 48-57]. | ||
== A hint for long-time XSCALE users == | == A hint for long-time XSCALE users == | ||
The latest versions do not require | a) The latest versions do not require | ||
SPACE_GROUP_NUMBER= | SPACE_GROUP_NUMBER= | ||
UNIT_CELL_PARAMETERS= | UNIT_CELL_PARAMETERS= | ||
in XSCALE.INP because these parameters are picked up from the header of the first input reflection file. | in XSCALE.INP because these parameters are picked up from the header of the first input reflection file. | ||
b) The VIEW program was replaced with the XDS-viewer program. | |||