$!
$! Example of running Vecref - NB scaling should be done with 
$! Fhscal first and vf000 term output by Fhscal should be used
$! in Patterson calculation.
$!
$! Use Fhscal to scale native and derivative data
$!
$ass/user ccp4_master:[ccp4.examples.toxd]toxd.mtz hklin
$ass/user CCP4_SCR:toxd_fhsc.mtz hklout
$fhscal
TITLE scale Au derivative by Kraut method
! SHELLS 20 ! default
LABIN FP=FTOXD3 SIGFP=SIGFTOXD3 FPH=FAU20 SIGFPH=SIGFAU20 
END
$!
$!  Calculate Patterson
$!
fft HKLIN CCP4_SCR:toxd_fhsc.mtz MAPOUT  CCP4_SCR:toxd_aupatt.map
PATT
resol 100 2.5
! LIST 100 ! uncomment this to get input FFT terms (fftkw.abcoeffs)
EXCLUD SIG1 4 SIG2 4 DIFF 3700
fftspacegroup 47   ! Orignal space group + no trans + center of sym
titl  2.5A AU - NAT patterson - excluding 4 sig , and Diso > 3700
grid 128 64 40
xyzlim 0 64 0 32 0 20
vf000 38165 0  ! set to value given in Fhscal
bias 1         ! 
binmapout
LABI F1=FAU20 SIG1=SIGFAU20 F2=FTOXD3  SIG2=SIGFTOXD3
end
$!
$! Use vecref to refine sites determined using RSPS (see rsps.sh)
$!
vecref MAPIN CCP4_SCR:toxd_aupatt.map ATOUT CCP4_SCR:toxd_vecref.data
TITL TEST VECREF 2.5A
RESO 2.5 20
SPAC P212121
CYCL 3 3 5
ATOM AU 1  1    .1758  0.1016 -.1000     20