|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Without information from self-rotation: Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 55.1124511016 Matthew's coefficient (A^3/Da): 2.64596234445 Possible number of molecules in an asymmetric unit: 5.0 Solvent content (%): 43.890563877 Matthew's coefficient (A^3/Da): 2.11676987556 Possible number of molecules in an asymmetric unit: 3.0 Solvent content (%): 66.3343383262 Matthew's coefficient (A^3/Da): 3.52794979259 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 32.6686766524 Matthew's coefficient (A^3/Da): 1.7639748963 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: tm128pk.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 61132 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #18 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: tm128pk.sca Integration radius (A): 26.9857245712 Resolution (A): 26.9857245712, 4.6287692232 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 0.3050 90.0 0.0 45.0 1.0000 0.0000 0.0000 0.3050 90.0 180.0 135.0 -1.0000 0.0000 0.0000 0.3050 157.9 90.0 180.0 0.0000 0.3762 -0.9265 0.3050 90.0 180.0 45.0 -1.0000 0.0000 0.0000 0.3050 90.0 360.0 135.0 1.0000 -0.0000 0.0000 0.3050 22.1 90.0 180.0 0.0000 0.3762 0.9265 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 2 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ With information from self-rotation: Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 55.1124511016 Matthew's coefficient (A^3/Da): 2.64596234445 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 32.6686766524 Matthew's coefficient (A^3/Da): 1.7639748963