$!
$!   Scala.sh
$!
$! first need to sort mtz file output from mosflm or rotaprep
$!
$na4tomtz hklin CCP4_master:[ccp4.examples.unix.runnable]aucn.na4 hklout CCP4_SCR:aucn
$!
$ass/user CCP4_SCR:aucn.mtz hklin
$ass/user CCP4_SCR:aucn_sor.mtz hklout
$sortmtz
H K L M/ISYM BATCH I SIGI
$!
$! Scala - calculating batch scale factors & merging
$! Simple case - single scale and B factor for each batch
$! see $CEXAM/unix/non-runnable/scala.exam for other examples
$!
$ass/user CCP4_SCR:aucn_sor.mtz hklin
$ass/user CCP4_SCR:aucn_mrg.mtz hklout
$ass/user CCP4_SCR:aucn.scales scales
$ass/user CCP4_SCR:aucn.rogues rogues
$ass/user CCP4_SCR:aucn.norm normplot
$ass/user CCP4_SCR:aucn.anom anomplot
$scala 
run 1 all
sdcorr  1.8  0.02
scales batch  bfactor on 
anomalous on
$!
$ass/user CCP4_SCR:aucn_mrg.mtz hklin
$ass/user CCP4_SCR:aucn_trn.mtz hklout
$truncate
title DMSO red aucn2 Data - mosflm
nresidue 745
labout  F=FP SIGF=SIGFP
$!