|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 88.88, 107.03, 119.5, 90.0, 110.87, 90.0 Space group: P21 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 49.521853205 Matthew's coefficient (A^3/Da): 2.35291451174 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 54.5696678845 Matthew's coefficient (A^3/Da): 2.61434945749 Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 44.4740385255 Matthew's coefficient (A^3/Da): 2.13901319249 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 59.617482564 Matthew's coefficient (A^3/Da): 2.94114313967 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 39.426223846 Matthew's coefficient (A^3/Da): 1.96076209312 Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 64.6652972435 Matthew's coefficient (A^3/Da): 3.36130644534 Possible number of molecules in an asymmetric unit: 13.0 Solvent content (%): 34.3784091665 Matthew's coefficient (A^3/Da): 1.8099342398 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 69.713111923 Matthew's coefficient (A^3/Da): 3.92152418623 Possible number of molecules in an asymmetric unit: 14.0 Solvent content (%): 29.3305944871 Matthew's coefficient (A^3/Da): 1.68065322267 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1qmvsf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 227970 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: ./r1qmvsf.ent.hkl Integration radius (A): 24.0219073932 Resolution (A): 19.987224951, 4.12039577929 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 0.6260 90.0 160.6 180.0 0.6464 0.0000 -0.7630 0.6260 90.0 70.3 180.0 0.7596 0.0000 0.6504 0.5990 90.0 107.8 180.0 0.9986 0.0000 0.0536 0.5990 90.0 17.7 180.0 -0.0553 0.0000 0.9985 0.5930 90.0 139.3 180.0 0.8794 0.0000 -0.4761 0.5930 90.0 49.4 180.0 0.4776 0.0000 0.8786 0.5860 90.0 147.4 180.0 0.8035 0.0000 -0.5952 0.5860 90.0 57.9 180.0 0.6022 0.0000 0.7983 0.5270 180.0 0.0 72.0 -0.0000 -1.0000 0.0000 0.5270 0.0 72.7 108.0 0.0000 1.0000 0.0000 0.5270 0.0 180.0 72.0 0.0000 1.0000 -0.0000 0.5270 180.0 219.8 108.0 -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 8 5 2 10 2 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 49.521853205 Matthew's coefficient (A^3/Da): 2.35291451174