Program CHEF
------------

A program for analysing scaled but unmerged intensity observations from one
or more wavelengths of diffraction data, in terms of radiation damage, 
resolution analysis and symmetry operations. The objective of this is
to allow rapid hypothesis testing on possible subsets of measurements to 
use for substructure determination, phasing and refinement.

Usage
-----

The program follows CCP4 conventions on use:

chef hklin1 infl.mtz hklin2 lrem.mtz << eof
anomalous on 
labin BASE=DOSE
print rd rmerge rsym
range min 0 max 600 width 10
resolution 40 1.7
bins 10
eof

Command Options
---------------

Anomalous - separate or merge anomalous pairs in analysis.

  ANOMalous (ON|OFF)

Labin - specify the column label to use as the baseline for radiation
damage analysis (BATCH is probably available in all reflection files
from Scala, DOSE and TIME can be added with the aid of DOSER.) 

  LABIn BASE=(BATCH|TIME|DOSE)

Print - what analysis to perform and results to print (default is to 
include all, PRINT with no subkeywords will switch off all printing)

  PRINTt (rd|rmerge|rsym)

Range - define the ranges of the baseline label to include in the analysis,
default is include all options. This allows contemplation of smaller 
subsets of the data.

  RANGe MIN 0 MAX 600 WIDTh 10

Resolution - define the resolution limits to include in the analysis.
Resolutions given in Angstroms in any order, a single value will be 
assumed to be a high resolution limit.

  RESOlution 40.0 1.7

Bins - the number of resolution bins to use in the analysis.

  BINS 10

Output
------

The output will consist of the overall summary values by including a 
defined subset of measurements (all, by default) as well as a series of
Loggraph's which show the by resolution, dose difference and symmetry
operator analysis.
