|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 68.9, 69.55, 130.66, 90.0, 90.0, 90.0 Space group: P212121 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 46.5430891592 Matthew's coefficient (A^3/Da): 2.2218037341 Possible number of molecules in an asymmetric unit: 5.0 Solvent content (%): 55.4525742994 Matthew's coefficient (A^3/Da): 2.66616448092 Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 37.6336040191 Matthew's coefficient (A^3/Da): 1.90440320066 Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 64.3620594395 Matthew's coefficient (A^3/Da): 3.33270560115 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./sf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 12715 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: ./sf.hkl Integration radius (A): 19.3196058171 Resolution (A): 9.99847020415, 3.31382604067 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 0.2370 0.0 0.0 90.0 0.0000 0.0000 1.0000 0.2370 90.0 135.0 180.0 -0.7071 0.7071 0.0000 0.2370 180.0 0.0 90.0 0.0000 0.0000 -1.0000 0.2370 90.0 225.0 180.0 -0.7071 -0.7071 0.0000 0.2310 0.0 116.0 90.0 -0.0000 0.0000 1.0000 0.2310 90.0 135.1 180.0 -0.7083 0.7059 0.0000 0.2310 180.0 231.5 90.0 -0.0000 -0.0000 -1.0000 0.2310 90.0 44.9 180.0 0.7083 0.7059 0.0000 0.2080 90.0 180.0 51.4 -1.0000 0.0000 0.0000 0.2080 90.0 0.0 128.6 1.0000 0.0000 0.0000 0.2080 115.4 90.0 180.0 0.0000 0.9033 -0.4289 0.2080 90.0 360.0 51.4 1.0000 -0.0000 0.0000 0.2080 90.0 180.0 128.6 -1.0000 0.0000 0.0000 0.2080 64.6 90.0 180.0 0.0000 0.9033 0.4289 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 6 4 4 7 2 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 64.3620594395 Matthew's coefficient (A^3/Da): 3.33270560115