|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Without information from self-rotation: Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 52.7138751224 Matthew's coefficient (A^3/Da): 2.51174661546 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 46.8031095127 Matthew's coefficient (A^3/Da): 2.23266365819 Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 58.6246407321 Matthew's coefficient (A^3/Da): 2.87056756053 Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 40.892343903 Matthew's coefficient (A^3/Da): 2.00939729237 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 64.5354063418 Matthew's coefficient (A^3/Da): 3.34899548728 Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 34.9815782933 Matthew's coefficient (A^3/Da): 1.82672481124 Possible number of molecules in an asymmetric unit: 5.0 Solvent content (%): 70.4461719515 Matthew's coefficient (A^3/Da): 4.01879458474 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 29.0708126836 Matthew's coefficient (A^3/Da): 1.67449774364 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: APC1068_40_p.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 27363 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #4 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: APC1068_40_p.sca Integration radius (A): 22.0680280649 Resolution (A): 22.0680280649, 3.78525352742 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 0.5840 90.0 78.1 180.0 0.8989 0.0000 0.4381 0.5840 90.0 168.0 180.0 0.4396 0.0000 -0.8982 0.5740 90.0 261.3 135.0 -0.9220 0.0000 -0.3872 0.5740 112.1 351.3 180.0 -0.3587 -0.3762 0.8543 0.5740 90.0 81.3 135.0 0.9220 0.0000 0.3872 0.5740 67.9 351.3 180.0 -0.3587 0.3762 0.8543 0.4950 90.0 90.0 77.1 0.9700 0.0000 0.2433 0.4950 38.4 0.0 180.0 -0.1511 0.7837 0.6025 0.4950 90.0 270.0 77.1 -0.9700 0.0000 -0.2433 0.4950 141.6 0.0 180.0 -0.1511 -0.7837 0.6025 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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 52.7138751224 Matthew's coefficient (A^3/Da): 2.51174661546 Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 40.892343903 Matthew's coefficient (A^3/Da): 2.00939729237 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 64.5354063418 Matthew's coefficient (A^3/Da): 3.34899548728 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 29.0708126836 Matthew's coefficient (A^3/Da): 1.67449774364