|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Without information from self-rotation: Possible number of molecules in an asymmetric unit: 3.0 Solvent content (%): 55.445680008 Matthew's coefficient (A^3/Da): 2.66575192127 Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 40.5942400106 Matthew's coefficient (A^3/Da): 1.99931394095 Possible number of molecules in an asymmetric unit: 2.0 Solvent content (%): 70.2971200053 Matthew's coefficient (A^3/Da): 3.9986278819 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: peak.sca ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ label phys type math type default H index mean None K index mean None L index mean None I+ quadratic mean None sigma(I+) quadratic spread 0 I- quadratic mean 0 sigma(I-) quadratic spread 0 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 45781 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #16 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: peak.sca 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 0.2870 0.0 180.0 90.0 -0.0000 0.0000 1.0000 0.2870 90.0 135.0 180.0 -0.7071 0.7071 0.0000 0.2870 180.0 0.0 90.0 0.0000 0.0000 -1.0000 0.2870 90.0 225.0 180.0 -0.7071 -0.7071 0.0000 0.2780 0.0 40.3 90.0 0.0000 0.0000 1.0000 0.2780 90.0 135.0 180.0 -0.7071 0.7071 0.0000 0.2780 180.0 241.5 90.0 -0.0000 -0.0000 -1.0000 0.2780 90.0 45.0 180.0 0.7071 0.7071 0.0000 0.2770 90.0 180.0 30.0 -1.0000 0.0000 0.0000 0.2770 90.0 0.0 150.0 1.0000 0.0000 0.0000 0.2770 104.9 90.0 180.0 0.0000 0.9664 -0.2571 0.2770 90.0 360.0 30.0 1.0000 -0.0000 0.0000 0.2770 90.0 180.0 150.0 -1.0000 0.0000 0.0000 0.2770 75.1 90.0 180.0 0.0000 0.9664 0.2571 0.2770 90.0 180.0 30.0 -1.0000 0.0000 0.0000 0.2770 90.0 360.0 150.0 1.0000 -0.0000 0.0000 0.2770 165.2 270.0 180.0 -0.0000 -0.2554 -0.9668 0.2770 90.0 0.0 30.0 1.0000 0.0000 0.0000 0.2770 90.0 180.0 150.0 -1.0000 0.0000 0.0000 0.2770 14.8 270.0 180.0 -0.0000 -0.2554 0.9668 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 4 4 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 40.5942400106 Matthew's coefficient (A^3/Da): 1.99931394095