|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 163.8, 98.2, 194.5, 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 (%): 49.1048108495 Matthew's coefficient (A^3/Da): 2.3336343985 Possible number of molecules in an asymmetric unit: 13.0 Solvent content (%): 52.7401815031 Matthew's coefficient (A^3/Da): 2.51314473684 Possible number of molecules in an asymmetric unit: 15.0 Solvent content (%): 45.4694401959 Matthew's coefficient (A^3/Da): 2.17805877193 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 56.3755521567 Matthew's coefficient (A^3/Da): 2.72257346491 Possible number of molecules in an asymmetric unit: 16.0 Solvent content (%): 41.8340695423 Matthew's coefficient (A^3/Da): 2.04193009868 Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 60.0109228103 Matthew's coefficient (A^3/Da): 2.97008014354 Possible number of molecules in an asymmetric unit: 17.0 Solvent content (%): 38.1986988887 Matthew's coefficient (A^3/Da): 1.92181656347 Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 63.6462934639 Matthew's coefficient (A^3/Da): 3.26708815789 Possible number of molecules in an asymmetric unit: 18.0 Solvent content (%): 34.5633282351 Matthew's coefficient (A^3/Da): 1.81504897661 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 67.2816641175 Matthew's coefficient (A^3/Da): 3.63009795322 Possible number of molecules in an asymmetric unit: 19.0 Solvent content (%): 30.9279575815 Matthew's coefficient (A^3/Da): 1.7195200831 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1bcpsf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 62613 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: ./r1bcpsf.ent.hkl Integration radius (A): 24.4977114366 Resolution (A): 24.4977114366, 4.20200882275 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 0.5870 90.0 270.0 30.0 -0.0000 -1.0000 0.0000 0.5870 90.0 90.0 150.0 0.0000 1.0000 0.0000 0.5870 165.6 0.0 180.0 0.2487 0.0000 -0.9686 0.5870 90.0 270.0 30.0 -0.0000 -1.0000 0.0000 0.5870 90.0 90.0 150.0 0.0000 1.0000 0.0000 0.5870 14.4 180.0 180.0 -0.2487 0.0000 0.9686 0.5870 90.0 90.0 30.0 0.0000 1.0000 0.0000 0.5870 90.0 270.0 150.0 -0.0000 -1.0000 0.0000 0.5870 14.4 0.0 180.0 0.2487 0.0000 0.9686 0.5870 90.0 90.0 30.0 0.0000 1.0000 0.0000 0.5870 90.0 270.0 150.0 -0.0000 -1.0000 0.0000 0.5870 14.4 0.0 180.0 0.2487 0.0000 0.9686 0.3910 90.0 270.0 90.0 -0.0000 -1.0000 0.0000 0.3910 45.4 180.0 180.0 -0.7120 0.0000 0.7022 0.3910 90.0 90.0 90.0 0.0000 1.0000 0.0000 0.3910 45.4 0.0 180.0 0.7120 0.0000 0.7022 0.3910 90.0 90.0 90.0 0.0000 1.0000 0.0000 0.3910 45.2 0.0 180.0 0.7096 0.0000 0.7046 0.3910 90.0 90.0 90.0 0.0000 1.0000 0.0000 0.3910 45.2 0.0 180.0 0.7096 0.0000 0.7046 0.3910 90.0 270.0 90.0 -0.0000 -1.0000 0.0000 0.3910 134.8 0.0 180.0 0.7096 0.0000 -0.7046 0.3910 90.0 270.0 90.0 -0.0000 -1.0000 0.0000 0.3910 134.6 0.0 180.0 0.7120 0.0000 -0.7022 0.3670 90.0 270.0 72.0 -0.0000 -1.0000 0.0000 0.3670 90.0 90.0 108.0 0.0000 1.0000 0.0000 0.3670 125.4 180.0 180.0 -0.8151 0.0000 -0.5793 0.3670 90.0 270.0 72.0 -0.0000 -1.0000 0.0000 0.3670 90.0 90.0 108.0 0.0000 1.0000 0.0000 0.3670 125.4 180.0 180.0 -0.8151 0.0000 -0.5793 0.3670 90.0 270.0 72.0 -0.0000 -1.0000 0.0000 0.3670 90.0 90.0 108.0 0.0000 1.0000 0.0000 0.3670 144.3 0.0 180.0 0.5835 0.0000 -0.8121 0.3670 90.0 270.0 72.0 -0.0000 -1.0000 0.0000 0.3670 90.0 90.0 108.0 0.0000 1.0000 0.0000 0.3670 144.3 0.0 180.0 0.5835 0.0000 -0.8121 0.3670 90.0 90.0 72.0 0.0000 1.0000 0.0000 0.3670 90.0 270.0 108.0 -0.0000 -1.0000 0.0000 0.3670 144.3 180.0 180.0 -0.5835 0.0000 -0.8121 0.3670 90.0 270.0 72.0 -0.0000 -1.0000 0.0000 0.3670 90.0 90.0 108.0 0.0000 1.0000 0.0000 0.3670 125.7 180.0 180.0 -0.8121 0.0000 -0.5835 0.3670 90.0 90.0 72.0 0.0000 1.0000 0.0000 0.3670 90.0 270.0 108.0 -0.0000 -1.0000 0.0000 0.3670 54.6 180.0 180.0 -0.8151 0.0000 0.5793 0.3670 90.0 90.0 72.0 0.0000 1.0000 0.0000 0.3670 90.0 270.0 108.0 -0.0000 -1.0000 0.0000 0.3670 125.4 0.0 180.0 0.8151 0.0000 -0.5793 0.3670 90.0 90.0 72.0 0.0000 1.0000 0.0000 0.3670 90.0 270.0 108.0 -0.0000 -1.0000 0.0000 0.3670 35.7 0.0 180.0 0.5835 0.0000 0.8121 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 19 5 9 10 9 12 8 4 6 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 63.6462934639 Matthew's coefficient (A^3/Da): 3.26708815789