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+  XPREP  - Reciprocal space exploration - Version 6.12 - W95/98/NT/2000/ME  +
+  COPYRIGHT(c) 2001 Bruker-AXS                         All Rights Reserved  +
+  2008lsh022r                           started at 12:16:18 on 31-Mar-2009  +
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Original cell in Angstroms and degrees:

    9.234   11.954   13.463    64.50    87.65    76.67

   22896 Reflections read from file 2008lsh022r.hkl; mean (I/sigma) =    6.25


Lattice exceptions:  P      A      B      C      I      F     Obv    Rev    All

N (total) =           0  11440  11435  11419  11411  17147  15267  15272  22896
N (int>3sigma) =      0   6873   6719   6868   6815  10230   9020   9035  13675
Mean intensity =    0.0  111.4  103.0  111.9  116.0  108.8  113.3  114.8  115.0
Mean int/sigma =    0.0    6.3    6.2    6.4    6.4    6.3    6.3    6.3    6.3

Lattice type: P chosen          Volume:      1302.31

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DETERMINATION OF REDUCED (NIGGLI) CELL

Transformation from original cell (HKLF-matrix): 
    1.0000  0.0000  0.0000    0.0000  1.0000  0.0000    0.0000  0.0000  1.0000

Unitcell:       9.234   11.954   13.463   64.50   87.65   76.67

Niggli form:     a.a =     85.26      b.b =    142.90      c.c =    181.25
                 b.c =     69.28      a.c =      5.09      a.b =     25.45

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Search for higher metric symmetry
Identical indices and Friedel opposites combined before calculating R(sym)
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Option A: FOM = 0.000 deg.   TRICLINIC    P-lattice   R(sym) = 0.000 [      0]
Cell:    9.234  11.954  13.463   64.50   87.65   76.67    Volume:      1302.31
Matrix: 1.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  1.0000

Option A selected

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SPACE GROUP DETERMINATION


Lattice exceptions:  P      A      B      C      I      F     Obv    Rev    All

N (total) =           0  11440  11435  11419  11411  17147  15267  15272  22896
N (int>3sigma) =      0   6873   6719   6868   6815  10230   9020   9035  13675
Mean intensity =    0.0  111.4  103.0  111.9  116.0  108.8  113.3  114.8  115.0
Mean int/sigma =    0.0    6.3    6.2    6.4    6.4    6.3    6.3    6.3    6.3


Crystal system A and Lattice type P selected

Mean |E*E-1| = 1.051 [expected .968 centrosym and .736 non-centrosym]

Chiral flag NOT set
Systematic absences not required for triclinic

Identical indices and Friedel opposites combined before calculating R(sym)

Option  Space Group  No.  Type  Axes  CSD  R(sym) N(eq)  Syst. Abs.   CFOM

[A] P-1            #  2  centro   1  8646  0.000      0  0.0 /  6.3   2.28
[B] P1             #  1  chiral   1   700  0.000      0  0.0 /  6.3  11.66

Option [A] chosen

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