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259 bytes added ,  18:29, 16 March 2020
→‎The script: version 0.94 bugfix for Bruker-cbf to make bc accept e.g. 3.1e-005 by using awk printf "%.5f" instead of awk print
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# revision 0.92 . KD 27/02/2020 read *_master.h5 from Diamond Light Source
 
# revision 0.92 . KD 27/02/2020 read *_master.h5 from Diamond Light Source
 
# revision 0.93 . KD 13/03/2020 print out 2theta for MarCCD (DETECTOR_*_AXIS can be derived from this)
 
# revision 0.93 . KD 13/03/2020 print out 2theta for MarCCD (DETECTOR_*_AXIS can be derived from this)
REVISION="0.93 (12-Mar-2020)"
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# revision 0.94 . KD 16/03/2020 bugfix for Bruker-cbf to make bc accept e.g. 3.1e-005 by using awk printf "%.5f" instead of awk print
 +
REVISION="0.94 (16-Mar-2020)"
    
#                                                                                                             
 
#                                                                                                             
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  X_RAY_WAVELENGTH=`awk '/diffrn_radiation_wavelength.wavelength/{print $2}' tmp2`  
 
  X_RAY_WAVELENGTH=`awk '/diffrn_radiation_wavelength.wavelength/{print $2}' tmp2`  
  OMEGA=`awk '/OMEGA \? \? \?/{print $5}' tmp2`
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# fix 16.3.20: instead of print, use printf "%.5f", because bc does not accept e.g. 3.1e-005
  DELTAOMEGA=`awk '/OMEGA \? \? \?/{print $6}' tmp2`
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  OMEGA=`awk '/OMEGA \? \? \?/{printf "%.5f",$5}' tmp2`
  PHI=`awk '/PHI \? \? \?/{print $5}' tmp2`
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  DELTAOMEGA=`awk '/OMEGA \? \? \?/{printf "%.5f",$6}' tmp2`
  DELTAPHI=`awk '/PHI \? \? \?/{printf "%5.4f",$6}' tmp2`
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  PHI=`awk '/PHI \? \? \?/{printf "%.5f",$5}' tmp2`
  KAPPA=`awk '/CHI \? \? \?/{print $5}' tmp2`
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  DELTAPHI=`awk '/PHI \? \? \?/{printf "%.5f",$6}' tmp2`
 +
  KAPPA=`awk '/CHI \? \? \?/{printf "%.5f",$5}' tmp2`
 
# echo OMEGA DELTAOMEGA PHI DELTAPHI KAPPA= $OMEGA $DELTAOMEGA $PHI $DELTAPHI $KAPPA
 
# echo OMEGA DELTAOMEGA PHI DELTAPHI KAPPA= $OMEGA $DELTAOMEGA $PHI $DELTAPHI $KAPPA
  
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