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 ### CCP4 6.1: CAD                      version 6.1 : 20/01/09##
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 User: subbu  Run date: 13/12/2009 Run time: 08:07:53 


 Please reference: Collaborative Computational Project, Number 4. 1994.
 "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763.
 as well as any specific reference in the program write-up.

 Data line--- RESOL  OVER_ALL 45.94 1.2
 Data line--- LABIN  FILE 1 E1=FBshasol E2=
 Data line--- CTYPIN FILE 1 E1=F E2=P
 Data line--- LABOUT FILE 1 E1=FBshasol E2=
 Data line--- END
    Indices output even if all data items flagged "missing"

 OPENED INPUT MTZ FILE 
 Logical Name: HKLIN1   Filename: /Users/subbu/sharp/users/subbu/None.sharp/logfiles/krel-SAD.1/eden_flat_49.4pc.mtz 

 * Title:

 

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 0

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:


 * Number of Columns = 30

 * Number of Reflections = 19202

 * Missing value set to NaN in input mtz file

 * Column Labels :

 H K L Fcentsha PHIcentsha FOMsha HLA HLB HLC HLD FHsha PHIHsha FreeR_flag FPsha SIGFPsha Fcentshasol PHIcentshasol FBshasol PHIBshasol PHIshasol FOMshasol FCshasol PHICshasol PHIdm FOMdm Fdm HLAdm HLBdm HLCdm HLDdm

 * Column Types :

 H H H F P W A A A A F P I F Q F P F P P W F P P W F A A A A

 * Associated datasets :

 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above)

   51.6370   57.9730   75.3200   90.0000   90.0000   90.0000 

 *  Resolution Range :

    0.00047    0.28504     (     45.941 -      1.873 A )

 * Sort Order :

      1     2     3     0     0

 * Space group = 'P 21 21 21' (number     19)


 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /Users/subbu/sharp/database/syminfo.lib

Reciprocal space symmetry: 
Space group: "P 21 21 21" Point group: "PG222" Laue group: "mmm" 
Reference asymmetric unit: "h>=0 and k>=0 and l>=0" 
  (change of basis may be applied) 

 Spacegroup 19 "P 21 21 21" 
 Original indices for reflection hkl with symmetry number ISYM 

                              Bijvoet positive 
       ISYM              ISYM              ISYM              ISYM              
  ISYM   1  +h,+k,+l       3  -h,-k,+l       5  +h,-k,-l       7  -h,+k,-l    

                              Bijvoet negative 
       ISYM              ISYM              ISYM              ISYM              
  ISYM   2  -h,-k,-l       4  +h,+k,-l       6  -h,+k,+l       8  +h,-k,+l    


 Chosen Asymmetric unit of reciprocal space: 
 [mmm] hkl:h>=0, k>=0, l>=0


 ** "Missing" flag set in HKLIN1 to Nan:


 ** "Missing" entries LISTED as           -999.000
 Data line--- LABIN  E1=FBshasol E2
MtzParseLabin: run out of labels trying to match "E2"
 CAD:  Error in label assignments in LKYSET
Times: User:       0.0s System:    0.0s Elapsed:     0:00