|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 85.66, 153.73, 158.47, 90.0, 90.0, 90.0 Space group: P212121 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 54.6338351745 Matthew's coefficient (A^3/Da): 2.61804727326 Possible number of molecules in an asymmetric unit: 5.0 Solvent content (%): 43.2922939681 Matthew's coefficient (A^3/Da): 2.09443781861 Possible number of molecules in an asymmetric unit: 3.0 Solvent content (%): 65.9753763809 Matthew's coefficient (A^3/Da): 3.49072969768 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 31.9507527617 Matthew's coefficient (A^3/Da): 1.74536484884 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1a0csf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 60999 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: ./r1a0csf.ent.hkl Integration radius (A): 31.2761141376 Resolution (A): 9.96728353825, 5.36468510078 Section normal: c* Polar angle interval: 2 Kappa angle interval: 1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1a0csf.ent.hkl Integration radius (A): 31.2761141376 Resolution (A): 9.96728353825, 5.36468510078 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 0.3630 90.0 270.0 30.0 -0.0000 -1.0000 0.0000 0.3630 90.0 90.0 150.0 0.0000 1.0000 0.0000 0.3630 14.5 180.0 180.0 -0.2504 0.0000 0.9681 0.3630 90.0 270.0 30.0 -0.0000 -1.0000 0.0000 0.3630 90.0 90.0 150.0 0.0000 1.0000 0.0000 0.3630 165.5 0.0 180.0 0.2504 0.0000 -0.9681 0.3630 90.0 270.0 30.0 -0.0000 -1.0000 0.0000 0.3630 90.0 90.0 150.0 0.0000 1.0000 0.0000 0.3630 75.6 0.0 180.0 0.9686 0.0000 0.2487 0.3630 90.0 270.0 30.0 -0.0000 -1.0000 0.0000 0.3630 90.0 90.0 150.0 0.0000 1.0000 0.0000 0.3630 104.4 180.0 180.0 -0.9686 0.0000 -0.2487 0.3630 90.0 90.0 30.0 0.0000 1.0000 0.0000 0.3630 90.0 270.0 150.0 -0.0000 -1.0000 0.0000 0.3630 14.5 0.0 180.0 0.2504 0.0000 0.9681 0.3630 90.0 90.0 30.0 0.0000 1.0000 0.0000 0.3630 90.0 270.0 150.0 -0.0000 -1.0000 0.0000 0.3630 165.5 180.0 180.0 -0.2504 0.0000 -0.9681 0.3630 90.0 90.0 30.0 0.0000 1.0000 0.0000 0.3630 90.0 270.0 150.0 -0.0000 -1.0000 0.0000 0.3630 104.4 0.0 180.0 0.9686 0.0000 -0.2487 0.3630 90.0 90.0 30.0 0.0000 1.0000 0.0000 0.3630 90.0 270.0 150.0 -0.0000 -1.0000 0.0000 0.3630 75.6 180.0 180.0 -0.9686 0.0000 0.2487 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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 54.6338351745 Matthew's coefficient (A^3/Da): 2.61804727326 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 31.9507527617 Matthew's coefficient (A^3/Da): 1.74536484884