CORRECT.LP: Difference between revisions

1,434 bytes added ,  8 October 2014
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If the user wants more automatic determination, it is suggested to run
If the user wants more automatic determination, it is suggested to run
  pointless XDS_ASCII.HKL
  echo SETTING SYMMETRY-BASED | pointless XDS_ASCII.HKL
 
Please note that SETTING SYMMETRY-BASED overrides a [[pointless]] default that would lead to ambiguity between space group numbers and space group symbols for space group numbers 5, 17 and 18. The mapping of numbers and names is:
 
****** LATTICE SYMMETRY IMPLICATED BY SPACE GROUP SYMMETRY ******
BRAVAIS-          POSSIBLE SPACE-GROUPS FOR PROTEIN CRYSTALS
  TYPE                    [SPACE GROUP NUMBER,SYMBOL]
  aP      [1,P1]
  mP      [3,P2] [4,P2(1)]
mC,mI    [5,C2]
  oP      [16,P222] [17,P222(1)] [18,P2(1)2(1)2] [19,P2(1)2(1)2(1)]
  oC      [21,C222] [20,C222(1)]
  oF      [22,F222]
  oI      [23,I222] [24,I2(1)2(1)2(1)]
  tP      [75,P4] [76,P4(1)] [77,P4(2)] [78,P4(3)] [89,P422] [90,P42(1)2]
          [91,P4(1)22] [92,P4(1)2(1)2] [93,P4(2)22] [94,P4(2)2(1)2]
          [95,P4(3)22] [96,P4(3)2(1)2]
  tI      [79,I4] [80,I4(1)] [97,I422] [98,I4(1)22]
  hP      [143,P3] [144,P3(1)] [145,P3(2)] [149,P312] [150,P321] [151,P3(1)12]
          [152,P3(1)21] [153,P3(2)12] [154,P3(2)21] [168,P6] [169,P6(1)]
          [170,P6(5)] [171,P6(2)] [172,P6(4)] [173,P6(3)] [177,P622]
          [178,P6(1)22] [179,P6(5)22] [180,P6(2)22] [181,P6(4)22] [182,P6(3)22]
  hR      [146,R3] [155,R32]
  cP      [195,P23] [198,P2(1)3] [207,P432] [208,P4(2)32] [212,P4(3)32]
          [213,P4(1)32]
  cF      [196,F23] [209,F432] [210,F4(1)32]
  cI      [197,I23] [199,I2(1)3] [211,I432] [214,I4(1)32]
 
 


== Scaling information ==
== Scaling information ==
2,684

edits