GSAS: lessen the tedium: batch file control of the refinement :(EXPEDT Example: refine oxygens)

• File titled refoxy.txt

k ! don't make a backup of the file

l ! least squares

a ! atom options

v 1:324 -x ! get rid of any X parameters refining

q ! quit atom list

v 1:324 -u ! get rid of any UISO parameters refining

q ! quit atom list

v 1:324 -f ! get rid of any FRAC parameters refining

q ! quit atom list

v 163:324 x ! set oxygens to refine

q ! quit atom list

x

x

x

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