#!/bin/csh -f
#
#sigmaa   \
# hklin ../../ejd/lcf/andrew-sfall.lcf hklout testout.lcf \
#<< 'eof'
sigmaa    \
hklin andrew-sfall.mtz hklout testout.mtz \
<< 'eof'
TITLE   MTZ SIGMAA test.
RESOLUTION  100. 2.6     !# Resolution limits
RANGES 20   5000     !#  No of bins for analysing agst S, 
SYMMETRY 19          !#  Spacegroup no (see symop for symm ops)
PARTIAL              !# Option for Fo-Fc type coefficients
ERROR
LABI  FP=FNAT25P   SIGFP=SIGNAT25P   -
      FC=FC        PHIC=PHCAL
LABO  WWT=WWT1     DELFWT=DELWFT1    -
      FWT=FWT1     PHWT=PHWT1
'eof'
#



  part of wang solvent flattening
sigmaa:
#
#goto mapcalc
/bin/rm $SCRATCH//cell_comb1.mtz
sigmaa			\
  HKLIN $SCRATCH/cellulase_mir_mod.mtz  \
HKLOUT 	$SCRATCH//cell_comb1.mtz \
<< 'END-sigmaa'		| col -b
TITLE   Phase combination cellulase 1st wanging
RANGES 10 1000
RESO  10.0 2.5 
SYMM  4
ERROR
COMBINE  1 

LABI FP=F_NAT_W SIGFP=SIG_NAT_W                  -
HLA=A HLB=B HLC=C HLD=D PHIBP=PHIZB  WP=FOMZ     -
FC=FCWANGWT1 PHIC=ACWANGWT1

LABO PHCMB=PHCMB1 WCMB=FOMCMB1 FWT=FWT1 PHWT=PHWT1
END
'END-sigmaa'


  Phase analysis againbst 2 weights


#
/bin/rm del.mtz
sigmaa			\
HKLIN $SCRATCH/phcomp_px.mtz	\
HKLOUT del.mtz	\
<< 'END-sigmaa'		| col -b
TITLE   Phase analysis chmi model vs phase extended phases
RANGES 20 1000
RESO  100.0 2.6 
SYMM  92
ERROR

LABI FP=F SIGFP=SIGF                  -
PHIBP=PHCMB1 WP=FOMCMB1 -
PHIB2=PHI W2=FOMCMB1                  

ANALYSE
END
'END-sigmaa'