**********************************************************************
*
*    Copyright (C) 1998 - 1999 Scott Belmonte
*
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program; if not, write to the Free Software
* Foundation, Inc., 
* 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
*
*
***********************************************************************

PATE - current version as of 29 July 2000: V1.2

PATE (pronounces patty) extracts powder pattern information from GSAS
files and outputs the observed, calculated, difference plots and
reflection positions in a form that can be used by graphing software.
It can handle multiple histograms (including time-of-flight) and multiple
phases.

Files:

readme.txt	This file
pate.c		C source code
pate.exe	PC Intel executable
license.htm	The GNU public licence.

PATE is written in C and should compile on most UNIX machines with the
following command line:

cc -o pate pate.c -lm

Put the executable in your path; the GSAS exe directory would be a
good place to put it.

PATE requires as input the GSAS *.EXP file and the *.P## files (one
for each histogram). When PATE is run it asks for the experiment name
(EXPNAM). For example, if you have the files GARNET.EXP and
GARNET.P01, just type GARNET (case is not important, even on UNIX
machines).

PATE outputs two files for each powder histogram in the
experiment: *.a## and *.b##, where * is the experiment name and ## is
the histogram number.

The *.a## files contain the data; six columns

Column 1: 2-theta (degrees) or time-of-flight (usec) 
Column 2: Observed intensity (mutiplied by the incident intensity).
Column 3: Calculated intensity (mutiplied by the incident intensity).
Column 4: Difference intensity (mutiplied by the incident intensity).
Column 5: The incident intensity.
Column 6: The value of the fixed background at that point, if there is any.

The *.b## files contain the positions of the reflections for each phase
in the histogram; two columns.

Column 1: 2-theta (degrees) or time-of-flight (usec)
Column 2: The phase number that the reflection belongs to.

PATE can handle all types of *.EXP files (PC and UNIX) without the need to
convert.

However, ....

******** N.B. *************
Because of difference in byte ordering (little-endian/big-endian)
between machines, binary files are NOT general portable between machines. 
PATE will not correctly decode binary pattern files produced by GSAS on 
a machine with a different byte ordering to the machine that PATE is run on.
It is not possible to determine, programmatically, the byte ordering of
GSAS binary files. The best way to avoid problems is to always run PATE on
the same machine that produced the binary files you want to decode.

Any bug reports or suggestions are most welcome. Send them to the following
e-mail address.

Scott A. Belmonte
e-mail: S.A.Belmonte@dl.ac.uk