|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 128.9, 67.4, 112.0, 90.0, 125.3, 90.0 Space group: C2 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 48.8504945772 Matthew's coefficient (A^3/Da): 2.32203152578 Possible number of molecules in an asymmetric unit: 5.0 Solvent content (%): 57.3754121477 Matthew's coefficient (A^3/Da): 2.78643783093 Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 40.3255770067 Matthew's coefficient (A^3/Da): 1.99031273638 Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 65.9003297181 Matthew's coefficient (A^3/Da): 3.48304728867 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 31.8006594363 Matthew's coefficient (A^3/Da): 1.74152364433 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1j95sf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 12054 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #5 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1j95sf.ent.hkl Integration radius (A): 20.6073665399 Resolution (A): 20.6073665399, 3.53471124184 Section normal: b* 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 0.8160 90.0 236.8 90.0 -0.3665 0.0000 -0.9304 0.8160 44.2 146.8 180.0 0.6487 0.7169 -0.2555 0.8160 90.0 56.8 90.0 0.3665 0.0000 0.9304 0.8160 44.1 326.8 180.0 -0.6475 0.7181 0.2551 0.8160 90.0 56.8 90.0 0.3665 0.0000 0.9304 0.8160 135.8 146.8 180.0 0.6487 -0.7169 -0.2555 0.7550 90.0 146.6 180.0 0.9317 0.0000 -0.3633 0.7550 90.0 236.6 180.0 -0.3633 0.0000 -0.9317 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 5 4 3 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 65.9003297181 Matthew's coefficient (A^3/Da): 3.48304728867 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 31.8006594363 Matthew's coefficient (A^3/Da): 1.74152364433