|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 89.88, 92.11, 131.63, 90.0, 90.0, 90.0 Space group: P212121 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 47.1200185878 Matthew's coefficient (A^3/Da): 2.2460439839 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 54.6743016467 Matthew's coefficient (A^3/Da): 2.62038464788 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 39.5657355289 Matthew's coefficient (A^3/Da): 1.96528848591 Possible number of molecules in an asymmetric unit: 5.0 Solvent content (%): 62.2285847056 Matthew's coefficient (A^3/Da): 3.14446157746 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 32.01145247 Matthew's coefficient (A^3/Da): 1.74692309859 Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 69.7828677644 Matthew's coefficient (A^3/Da): 3.93057697182 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1bhnsf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 37348 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: ./r1bhnsf.ent.hkl Integration radius (A): 21.9954909065 Resolution (A): 21.9954909065, 3.77281147624 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 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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 47.1200185878 Matthew's coefficient (A^3/Da): 2.2460439839 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 54.6743016467 Matthew's coefficient (A^3/Da): 2.62038464788 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 39.5657355289 Matthew's coefficient (A^3/Da): 1.96528848591 Possible number of molecules in an asymmetric unit: 5.0 Solvent content (%): 62.2285847056 Matthew's coefficient (A^3/Da): 3.14446157746 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 32.01145247 Matthew's coefficient (A^3/Da): 1.74692309859 Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 69.7828677644 Matthew's coefficient (A^3/Da): 3.93057697182