|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Without information from self-rotation: Possible number of molecules in an asymmetric unit: 3.0 Solvent content (%): 41.4422083022 Matthew's coefficient (A^3/Da): 2.02826576406 Possible number of molecules in an asymmetric unit: 2.0 Solvent content (%): 60.9614722015 Matthew's coefficient (A^3/Da): 3.04239864609 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: 250s1_p.i.hkl ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 7249 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #171 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: 250s1_p.i.hkl Integration radius (A): 23.0724735749 Resolution (A): 23.0724735749, 3.95754263721 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 0.8910 90.0 40.2 180.0 0.7638 0.6455 0.0000 0.8910 90.0 100.2 180.0 -0.1771 0.9842 0.0000 0.8910 90.0 160.2 180.0 -0.9409 0.3387 0.0000 0.8910 90.0 130.2 180.0 -0.6455 0.7638 0.0000 0.8910 90.0 70.2 180.0 0.3387 0.9409 0.0000 0.8910 90.0 10.2 180.0 0.9842 0.1771 0.0000 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: 2.0 Solvent content (%): 60.9614722015 Matthew's coefficient (A^3/Da): 3.04239864609