|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 47.0, 73.6, 74.3, 90.0, 96.8, 90.0 Space group: P21 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 5.0 Solvent content (%): 52.7821987837 Matthew's coefficient (A^3/Da): 2.51538108637 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 43.3386385404 Matthew's coefficient (A^3/Da): 2.09615090531 Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 62.2257590269 Matthew's coefficient (A^3/Da): 3.14422635796 Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 33.8950782971 Matthew's coefficient (A^3/Da): 1.79670077598 Possible number of molecules in an asymmetric unit: 3.0 Solvent content (%): 71.6693192702 Matthew's coefficient (A^3/Da): 4.19230181062 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1dj8sf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31514 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: ./r1dj8sf.ent.hkl Integration radius (A): 18.4013298219 Resolution (A): 15.0577532835, 3.15631729364 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 0.2410 90.0 149.3 180.0 0.6088 0.0000 -0.7934 0.2410 90.0 58.8 180.0 0.7880 0.0000 0.6157 0.2220 90.0 50.8 180.0 0.6947 0.0000 0.7193 0.2220 90.0 140.9 180.0 0.7181 0.0000 -0.6959 0.1970 90.0 177.8 120.0 0.1564 0.0000 -0.9877 0.1970 60.1 87.8 180.0 0.8562 0.4985 0.1356 0.1970 90.0 178.9 120.0 0.1374 0.0000 -0.9905 0.1970 60.0 88.9 180.0 0.8578 0.5000 0.1190 0.1970 90.0 357.8 120.0 -0.1564 0.0000 0.9877 0.1970 119.9 87.8 180.0 0.8562 -0.4985 0.1356 0.1960 90.0 80.0 180.0 0.9573 0.0000 0.2890 0.1960 90.0 169.4 180.0 0.2990 0.0000 -0.9542 0.1950 90.0 104.6 180.0 0.9907 0.0000 -0.1357 0.1950 90.0 14.8 180.0 0.1392 0.0000 0.9903 0.1940 90.0 0.0 120.0 -0.1184 0.0000 0.9930 0.1940 120.1 90.0 180.0 0.8591 -0.5015 0.1024 0.1900 90.0 115.9 180.0 0.9449 0.0000 -0.3272 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 13 3 4 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 43.3386385404 Matthew's coefficient (A^3/Da): 2.09615090531