|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 76.871, 172.38, 112.45, 90.0, 93.45, 90.0 Space group: P21 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 18.0 Solvent content (%): 49.8596622072 Matthew's coefficient (A^3/Da): 2.3687667325 Possible number of molecules in an asymmetric unit: 17.0 Solvent content (%): 52.645236529 Matthew's coefficient (A^3/Da): 2.50810595205 Possible number of molecules in an asymmetric unit: 19.0 Solvent content (%): 47.0740878854 Matthew's coefficient (A^3/Da): 2.24409479921 Possible number of molecules in an asymmetric unit: 16.0 Solvent content (%): 55.4308108509 Matthew's coefficient (A^3/Da): 2.66486257406 Possible number of molecules in an asymmetric unit: 20.0 Solvent content (%): 44.2885135636 Matthew's coefficient (A^3/Da): 2.13189005925 Possible number of molecules in an asymmetric unit: 15.0 Solvent content (%): 58.2163851727 Matthew's coefficient (A^3/Da): 2.84252007899 Possible number of molecules in an asymmetric unit: 21.0 Solvent content (%): 41.5029392418 Matthew's coefficient (A^3/Da): 2.030371485 Possible number of molecules in an asymmetric unit: 14.0 Solvent content (%): 61.0019594945 Matthew's coefficient (A^3/Da): 3.04555722749 Possible number of molecules in an asymmetric unit: 22.0 Solvent content (%): 38.7173649199 Matthew's coefficient (A^3/Da): 1.93808187204 Possible number of molecules in an asymmetric unit: 13.0 Solvent content (%): 63.7875338163 Matthew's coefficient (A^3/Da): 3.27983086038 Possible number of molecules in an asymmetric unit: 23.0 Solvent content (%): 35.9317905981 Matthew's coefficient (A^3/Da): 1.85381744282 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 66.5731081382 Matthew's coefficient (A^3/Da): 3.55315009874 Possible number of molecules in an asymmetric unit: 24.0 Solvent content (%): 33.1462162763 Matthew's coefficient (A^3/Da): 1.77657504937 Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 69.35868246 Matthew's coefficient (A^3/Da): 3.87616374408 Possible number of molecules in an asymmetric unit: 25.0 Solvent content (%): 30.3606419545 Matthew's coefficient (A^3/Da): 1.7055120474 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1hl5sf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 265949 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: ./r1hl5sf.ent.hkl Integration radius (A): 22.0436211888 Resolution (A): 21.9950374229, 3.78106709928 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 0.6410 90.0 90.1 180.0 0.9983 0.0000 0.0584 0.3600 90.0 90.0 120.0 0.9982 0.0000 0.0602 0.3600 59.9 0.0 180.0 -0.0521 0.5015 0.8636 0.3600 90.0 90.0 120.0 0.9982 0.0000 0.0602 0.3600 119.8 180.0 180.0 0.0522 -0.4970 -0.8662 0.3600 90.0 90.4 120.0 0.9986 0.0000 0.0532 0.3600 119.9 180.4 180.0 0.0461 -0.4985 -0.8657 0.3600 90.0 270.0 120.0 -0.9982 0.0000 -0.0602 0.3600 60.2 180.0 180.0 0.0522 0.4970 -0.8662 0.3600 90.0 270.0 120.0 -0.9982 0.0000 -0.0602 0.3600 120.1 0.0 180.0 -0.0521 -0.5015 0.8636 0.3490 90.0 90.0 60.0 0.9982 0.0000 0.0602 0.3490 30.0 0.0 180.0 -0.0301 0.8660 0.4991 0.3490 90.0 90.0 60.0 0.9982 0.0000 0.0602 0.3490 149.9 180.0 180.0 0.0302 -0.8652 -0.5006 0.3490 90.0 90.3 60.0 0.9985 0.0000 0.0550 0.3490 30.1 0.3 180.0 -0.0276 0.8652 0.5008 0.3490 90.0 270.0 60.0 -0.9982 0.0000 -0.0602 0.3490 150.0 0.0 180.0 -0.0301 -0.8660 0.4991 0.3490 90.0 270.0 60.0 -0.9982 0.0000 -0.0602 0.3490 30.1 180.0 180.0 0.0302 0.8652 -0.5006 0.3190 90.0 189.4 180.0 -0.1037 0.0000 -0.9946 0.3190 90.0 99.2 180.0 0.9950 0.0000 -0.1002 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 13 3 5 6 5 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 18.0 Solvent content (%): 49.8596622072 Matthew's coefficient (A^3/Da): 2.3687667325 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 66.5731081382 Matthew's coefficient (A^3/Da): 3.55315009874 Possible number of molecules in an asymmetric unit: 24.0 Solvent content (%): 33.1462162763 Matthew's coefficient (A^3/Da): 1.77657504937