|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 128.32, 126.82, 85.61, 90.0, 116.14, 90.0 Space group: P21 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 48.9014242082 Matthew's coefficient (A^3/Da): 2.32434588008 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 54.0112817873 Matthew's coefficient (A^3/Da): 2.58260653342 Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 43.791566629 Matthew's coefficient (A^3/Da): 2.11304170916 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 59.1211393665 Matthew's coefficient (A^3/Da): 2.9054323501 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 38.6817090498 Matthew's coefficient (A^3/Da): 1.93695490006 Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 64.2309969457 Matthew's coefficient (A^3/Da): 3.3204941144 Possible number of molecules in an asymmetric unit: 13.0 Solvent content (%): 33.5718514706 Matthew's coefficient (A^3/Da): 1.78795836929 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 69.3408545249 Matthew's coefficient (A^3/Da): 3.87390980013 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1cr7sf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 58596 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #4 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1cr7sf.ent.hkl Integration radius (A): 25.4696552907 Resolution (A): 9.99630594922, 4.36872303442 Section normal: b* 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 0.9590 90.0 116.0 180.0 1.0000 0.0000 0.0024 0.9590 90.0 26.0 180.0 -0.0024 0.0000 1.0000 0.5170 90.0 295.9 51.4 -1.0000 0.0000 -0.0042 0.5170 153.7 25.9 180.0 -0.0019 -0.8965 0.4431 0.5170 90.0 115.9 51.4 1.0000 0.0000 0.0042 0.5170 26.3 25.9 180.0 -0.0019 0.8965 0.4431 0.5140 90.0 116.1 128.6 1.0000 0.0000 0.0007 0.5140 63.7 26.1 180.0 -0.0006 0.4431 0.8965 0.5140 90.0 296.1 128.6 -1.0000 0.0000 -0.0007 0.5140 116.3 26.1 180.0 -0.0006 -0.4431 0.8965 0.4650 90.0 321.6 180.0 -0.9029 0.0000 0.4299 0.4650 90.0 51.7 180.0 0.4315 0.0000 0.9021 0.3980 90.0 72.9 180.0 0.7285 0.0000 0.6851 0.3980 90.0 163.0 180.0 0.6838 0.0000 -0.7297 0.3840 180.0 360.0 90.0 -0.0000 -1.0000 0.0000 0.3840 0.0 360.0 90.0 -0.0000 1.0000 0.0000 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 2 10 4 2 7 2 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 59.1211393665 Matthew's coefficient (A^3/Da): 2.9054323501 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 38.6817090498 Matthew's coefficient (A^3/Da): 1.93695490006