|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Without information from self-rotation: Possible number of molecules in an asymmetric unit: 5.0 Solvent content (%): 52.9499043623 Matthew's coefficient (A^3/Da): 2.52434692236 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 43.5398852348 Matthew's coefficient (A^3/Da): 2.1036224353 Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 62.3599234898 Matthew's coefficient (A^3/Da): 3.15543365295 Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 34.1298661072 Matthew's coefficient (A^3/Da): 1.80310494454 Possible number of molecules in an asymmetric unit: 3.0 Solvent content (%): 71.7699426174 Matthew's coefficient (A^3/Da): 4.20724487059 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ta726Se1_infl.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 62675 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: ta726Se1_infl.sca Integration radius (A): 25.8109181599 Resolution (A): 25.8109181599, 4.42725868951 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 0.8980 90.0 90.6 180.0 0.9716 0.0000 0.2365 0.2940 90.0 195.9 102.9 -0.0283 0.0000 -0.9996 0.2940 51.7 105.9 180.0 0.7845 0.6198 -0.0222 0.2940 90.0 15.8 102.9 0.0265 0.0000 0.9996 0.2940 128.3 105.8 180.0 0.7845 -0.6198 -0.0208 0.2940 90.0 15.9 102.9 0.0283 0.0000 0.9996 0.2940 128.3 105.9 180.0 0.7845 -0.6198 -0.0222 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 4 7 3 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ With information from self-rotation: Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 43.5398852348 Matthew's coefficient (A^3/Da): 2.1036224353 Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 62.3599234898 Matthew's coefficient (A^3/Da): 3.15543365295