|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 65.93, 117.96, 147.63, 90.0, 90.0, 90.0 Space group: P212121 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 14.0 Solvent content (%): 49.8092642843 Matthew's coefficient (A^3/Da): 2.3663881875 Possible number of molecules in an asymmetric unit: 13.0 Solvent content (%): 53.3943168354 Matthew's coefficient (A^3/Da): 2.54841804808 Possible number of molecules in an asymmetric unit: 15.0 Solvent content (%): 46.2242117332 Matthew's coefficient (A^3/Da): 2.208628975 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 56.9793693865 Matthew's coefficient (A^3/Da): 2.76078621875 Possible number of molecules in an asymmetric unit: 16.0 Solvent content (%): 42.639159182 Matthew's coefficient (A^3/Da): 2.07058966406 Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 60.5644219377 Matthew's coefficient (A^3/Da): 3.01176678409 Possible number of molecules in an asymmetric unit: 17.0 Solvent content (%): 39.0541066309 Matthew's coefficient (A^3/Da): 1.94879027206 Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 64.1494744888 Matthew's coefficient (A^3/Da): 3.3129434625 Possible number of molecules in an asymmetric unit: 18.0 Solvent content (%): 35.4690540798 Matthew's coefficient (A^3/Da): 1.84052414583 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 67.7345270399 Matthew's coefficient (A^3/Da): 3.68104829167 Possible number of molecules in an asymmetric unit: 19.0 Solvent content (%): 31.8840015287 Matthew's coefficient (A^3/Da): 1.74365445395 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1qawsf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 36543 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #19 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1qawsf.ent.hkl Integration radius (A): 17.4578367354 Resolution (A): 14.9586365689, 2.99448314501 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 0.4070 0.0 279.3 77.1 0.0000 -0.0000 1.0000 0.4070 180.0 347.0 102.9 0.0000 -0.0000 -1.0000 0.4070 90.0 38.5 180.0 0.7826 0.6225 0.0000 0.4070 180.0 241.7 77.1 -0.0000 -0.0000 -1.0000 0.4070 0.0 180.0 102.9 -0.0000 0.0000 1.0000 0.4070 90.0 141.8 180.0 -0.7859 0.6184 0.0000 0.4070 0.0 30.5 77.1 0.0000 0.0000 1.0000 0.4070 180.0 360.0 102.9 0.0000 -0.0000 -1.0000 0.4070 90.0 218.2 180.0 -0.7859 -0.6184 0.0000 0.4070 180.0 146.3 77.1 -0.0000 0.0000 -1.0000 0.4070 0.0 65.9 102.9 0.0000 0.0000 1.0000 0.4070 90.0 141.5 180.0 -0.7826 0.6225 0.0000 0.3090 90.0 180.0 90.0 -1.0000 0.0000 0.0000 0.3090 135.1 270.0 180.0 -0.0000 -0.7059 -0.7083 0.3090 90.0 0.0 90.0 1.0000 0.0000 0.0000 0.3090 44.9 270.0 180.0 -0.0000 -0.7059 0.7083 0.3080 90.0 180.0 90.0 -1.0000 0.0000 0.0000 0.3080 135.1 270.0 180.0 -0.0000 -0.7059 -0.7083 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 7 7 4 14 4 4 3 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 14.0 Solvent content (%): 49.8092642843 Matthew's coefficient (A^3/Da): 2.3663881875