|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 230.31, 73.86, 138.9, 90.0, 90.0, 90.0 Space group: C2221 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 52.1849787723 Matthew's coefficient (A^3/Da): 2.48396342969 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 45.3542614541 Matthew's coefficient (A^3/Da): 2.17346800098 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 59.0156960906 Matthew's coefficient (A^3/Da): 2.89795733464 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 38.5235441358 Matthew's coefficient (A^3/Da): 1.93197155643 Possible number of molecules in an asymmetric unit: 5.0 Solvent content (%): 65.8464134088 Matthew's coefficient (A^3/Da): 3.47754880157 Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 31.6928268176 Matthew's coefficient (A^3/Da): 1.73877440079 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1f9nsf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 28072 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #20 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1f9nsf.ent.hkl Integration radius (A): 21.8498212756 Resolution (A): 21.8498212756, 3.74782526168 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 0.5110 90.0 90.0 90.0 0.0000 1.0000 0.0000 0.5110 45.0 0.0 180.0 0.7071 0.0000 0.7071 0.5060 90.0 90.0 90.0 0.0000 1.0000 0.0000 0.5060 44.9 0.0 180.0 0.7059 0.0000 0.7083 0.5060 90.0 270.0 90.0 -0.0000 -1.0000 0.0000 0.5060 44.9 180.0 180.0 -0.7059 0.0000 0.7083 0.5060 90.0 90.0 90.0 0.0000 1.0000 0.0000 0.5060 44.9 0.0 180.0 0.7059 0.0000 0.7083 0.5060 90.0 270.0 90.0 -0.0000 -1.0000 0.0000 0.5060 135.1 0.0 180.0 0.7059 0.0000 -0.7083 0.4420 90.0 90.0 30.0 0.0000 1.0000 0.0000 0.4420 90.0 270.0 150.0 -0.0000 -1.0000 0.0000 0.4420 164.4 180.0 180.0 -0.2689 0.0000 -0.9632 0.4420 90.0 270.0 30.0 -0.0000 -1.0000 0.0000 0.4420 90.0 90.0 150.0 0.0000 1.0000 0.0000 0.4420 105.2 180.0 180.0 -0.9650 0.0000 -0.2622 0.4420 90.0 90.0 30.0 0.0000 1.0000 0.0000 0.4420 90.0 270.0 150.0 -0.0000 -1.0000 0.0000 0.4420 15.5 0.0 180.0 0.2672 0.0000 0.9636 0.4420 90.0 90.0 30.0 0.0000 1.0000 0.0000 0.4420 90.0 270.0 150.0 -0.0000 -1.0000 0.0000 0.4420 15.5 0.0 180.0 0.2672 0.0000 0.9636 0.4420 90.0 90.0 30.0 0.0000 1.0000 0.0000 0.4420 90.0 270.0 150.0 -0.0000 -1.0000 0.0000 0.4420 75.0 180.0 180.0 -0.9659 0.0000 0.2588 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 10 4 5 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 45.3542614541 Matthew's coefficient (A^3/Da): 2.17346800098