NORMAL.HKL: Difference between revisions
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(Created page with "This is the description of filetype NORMAL.HKL (used until 2002). Files of this type may be used as REFERENCE_DATA_SET which may be useful in specific situations. ...") |
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This is the description of filetype NORMAL.HKL (used until 2002). | This is the description of filetype NORMAL.HKL (used until 2002). | ||
Files of this type may be used as REFERENCE_DATA_SET which may be useful in specific situations. | Files of this type may be used as [[REFERENCE_DATA_SET]] which may be useful in specific situations. | ||
NORMAL.HKL (ASCII, formatted sequential) | NORMAL.HKL (ASCII, formatted sequential) |
Latest revision as of 22:08, 23 March 2014
This is the description of filetype NORMAL.HKL (used until 2002). Files of this type may be used as REFERENCE_DATA_SET which may be useful in specific situations.
NORMAL.HKL (ASCII, formatted sequential) Description of file format NORMAL (or OLDHKL) as produced by XDS (NORMAL.HKL) and XSCALE (XSCALE.HKL) for representing unique intensities in the absence of anomalous scattering effects. Symmetry related reflections including Friedel-pairs are averaged and recorded by FORTRAN FORMAT(3I5,4E12.4). Each record consists of the following items h,k,l,I,SDI h,k,l - unique reflection indices. h=10000 indicates the last record in file. I,SDI - Mean weighted intensity and its standard deviation of all reflections symmetry related to h, k, l or -h,-k,-l In case SDI is missing on an input file of this type, XSCALE will assume SDI=0.1*I.