(Note: for some available XRD parameter files, the
default GSAS profile function is the Finger, Cox & Jephcoat peak shape
function (#3) which does not have any values for S/L & H/L which can
cause the present version of GSAS to crash when running GENLES.
To change the profile function, select,
L (Least squares refinement set up) ;
O (Edit overall parameters) ;
P for (Profile Coefficients) ;
then R ("R n - Reset profile coeffs. to default values for type "n"")
to change the Profile function type to what you wish to use.
When prompted for the profile type, enter the number corresponding to the profile type.
The available profiles will depend on the data type. Refer to page 125 to 138 of the
GSAS manual (manual.pdf).
After entering the profile function, if GSAS says no values found,
continue on with Y and have them replaced.
On being prompted with Enter new values for GU, GV and GW,
enter 0 0 0.05. Then when prompted for values for the other parameters,
enter / to accept them.
Comments from Bob von Dreele on the above
Date: Tue, 07 Sep 1999 14:01:46 -0600
To: Lachlan Cranswick [l.m.d.cranswick@dl.ac.uk]
From: vondreele@popler.lansce.lanl.gov (Bob Von Dreele)
4. The default profile function is determined by the contents of the iparm
file. The first set of profile coefficients for a "bank" is the default.
Others can also be given as well. I've attached inst_xry.prm from
\gsas\example to show how this is done.
Bob
123456789012345678901234567890123456789012345678901234567890
INS BANK 1
INS DTYPE STND
INS HTYPE PXCR
INS 1 IRAD 3
INS 1 ICONS 1.540500 1.544300 0.0 0 0.5 0 0.5
INS 1I HEAD DUMMY INCIDENT SPECTRUM FOR X-RAY DIFFRACTOMETER
INS 1I ITYP 0 0.0000 180.0000 1
INS 1PRCF1 2 6 0.01
INS 1PRCF11 2.000000E+00 -2.000000E+00 5.000000E+00 0.000000E+00
INS 1PRCF12 0.000000E+00 0.000000E+00
INS 1PRCF1 3 8 0.01
INS 1PRCF11 2.000000E+00 -2.000000E+00 5.000000E+00 0.000000E+00
INS 1PRCF12 0.000000E+00 0.000000E+00 0.100000E-01 0.150000E-01
INS 1PRCF1 4 12 0.01
INS 1PRCF11 2.000000E+00 -2.000000E+00 5.000000E+00 0.000000E+00
INS 1PRCF12 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00
INS 1PRCF13 0.000000E+00 0.100000E-01 0.150000E-01 0.000000E+00