|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 73.897, 73.897, 104.547, 90.0, 90.0, 90.0 Space group: P41 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 47.5392694658 Matthew's coefficient (A^3/Da): 2.2639937132 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 55.0336595421 Matthew's coefficient (A^3/Da): 2.64132599874 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 40.0448793894 Matthew's coefficient (A^3/Da): 1.98099449905 Possible number of molecules in an asymmetric unit: 5.0 Solvent content (%): 62.5280496184 Matthew's coefficient (A^3/Da): 3.16959119849 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 32.5504893131 Matthew's coefficient (A^3/Da): 1.76088399916 Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 70.0224396947 Matthew's coefficient (A^3/Da): 3.96198899811 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1b4fsf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 106694 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #76 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1b4fsf.ent.hkl Integration radius (A): 17.6845869938 Resolution (A): 17.6845869938, 3.03337684284 Section normal: c* Polar angle interval: 2 Kappa angle interval: 1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1b4fsf.ent.hkl Integration radius (A): 17.6845869938 Resolution (A): 17.6845869938, 3.03337684284 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 0.3120 90.0 121.7 180.0 -0.5255 0.8508 0.0000 0.3120 90.0 31.7 180.0 0.8508 0.5255 0.0000 0.3060 90.0 76.7 180.0 0.2300 0.9732 0.0000 0.3060 90.0 166.7 180.0 -0.9732 0.2300 0.0000 0.2710 90.0 114.5 180.0 -0.4147 0.9100 0.0000 0.2710 90.0 24.5 180.0 0.9100 0.4147 0.0000 0.2700 90.0 159.7 180.0 -0.9379 0.3469 0.0000 0.2700 90.0 69.7 180.0 0.3469 0.9379 0.0000 0.2300 90.0 1.1 180.0 0.9998 0.0192 0.0000 0.2300 90.0 91.1 180.0 -0.0192 0.9998 0.0000 0.2280 90.0 134.8 180.0 -0.7046 0.7096 0.0000 0.2280 90.0 44.8 180.0 0.7096 0.7046 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 12 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 55.0336595421 Matthew's coefficient (A^3/Da): 2.64132599874 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 40.0448793894 Matthew's coefficient (A^3/Da): 1.98099449905 Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 70.0224396947 Matthew's coefficient (A^3/Da): 3.96198899811