NORMAL.HKL

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.