|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 157.677, 157.677, 90.932, 90.0, 90.0, 90.0 Space group: P42212 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 52.1351792213 Matthew's coefficient (A^3/Da): 2.48137906269 Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 46.8168658015 Matthew's coefficient (A^3/Da): 2.23324115642 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 57.4534926412 Matthew's coefficient (A^3/Da): 2.79155144553 Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 41.4985523816 Matthew's coefficient (A^3/Da): 2.03021923311 Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 62.771806061 Matthew's coefficient (A^3/Da): 3.19034450917 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 36.1802389618 Matthew's coefficient (A^3/Da): 1.86103429702 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 68.0901194809 Matthew's coefficient (A^3/Da): 3.72206859404 Possible number of molecules in an asymmetric unit: 13.0 Solvent content (%): 30.8619255419 Matthew's coefficient (A^3/Da): 1.71787781263 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1g31sf.ent.hkl ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ label phys type math type default H index mean None K index mean None L index mean None F linear mean None sigma(F) linear spread 0 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70871 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #94 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1g31sf.ent.hkl Integration radius (A): 19.8073709474 Resolution (A): 19.8073709474, 3.39749072854 Section normal: c* Polar angle interval: 2 Kappa angle interval: 1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SOURCE: cpl.ncs.rotational.symmetry.nasymm TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation peak(s) found rank psi phi kappa orientation cosine 0.9600 0.0 45.6 154.3 0.0000 0.0000 1.0000 0.9600 0.0 110.9 154.3 -0.0000 0.0000 1.0000 0.9600 180.0 225.6 154.3 -0.0000 -0.0000 -1.0000 0.9600 180.0 158.9 154.3 -0.0000 0.0000 -1.0000 0.9600 180.0 160.8 154.3 -0.0000 0.0000 -1.0000 0.9600 0.0 154.2 154.3 -0.0000 0.0000 1.0000 0.9600 0.0 109.2 154.3 -0.0000 0.0000 1.0000 0.9600 180.0 115.6 154.3 -0.0000 0.0000 -1.0000 0.9600 180.0 0.0 154.3 0.0000 0.0000 -1.0000 0.9600 0.0 180.0 154.3 -0.0000 0.0000 1.0000 0.9600 0.0 64.4 154.3 0.0000 0.0000 1.0000 0.9600 180.0 205.8 154.3 -0.0000 -0.0000 -1.0000 0.9560 0.0 102.6 102.9 -0.0000 0.0000 1.0000 0.9560 180.0 167.2 102.9 -0.0000 0.0000 -1.0000 0.9560 0.0 180.0 102.9 -0.0000 0.0000 1.0000 0.9560 180.0 0.0 102.9 0.0000 0.0000 -1.0000 0.9560 180.0 257.3 102.9 -0.0000 -0.0000 -1.0000 0.9560 0.0 11.9 102.9 0.0000 0.0000 1.0000 0.9560 180.0 212.3 102.9 -0.0000 -0.0000 -1.0000 0.9560 0.0 57.4 102.9 0.0000 0.0000 1.0000 0.9530 0.0 85.3 102.9 0.0000 0.0000 1.0000 0.9530 0.0 45.8 102.9 0.0000 0.0000 1.0000 0.9530 180.0 225.8 102.9 -0.0000 -0.0000 -1.0000 0.9530 180.0 184.0 102.9 -0.0000 -0.0000 -1.0000 0.9500 180.0 213.0 51.4 -0.0000 -0.0000 -1.0000 0.9500 180.0 178.0 51.4 -0.0000 0.0000 -1.0000 Note: The polar angles psi and phi are pole-dependent. In monoclinic crystal system, b/b*/y-axis is the default pole; in other crystal systems, c*/z-axis is the default pole. User selection may override the default. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SOURCE: cpl.ncs.rotational.symmetry.nasymm TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Rotation symmetry found fold occurrence 7 26 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 62.771806061 Matthew's coefficient (A^3/Da): 3.19034450917