|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 186.377, 117.28, 88.986, 90.0, 113.97, 90.0 Space group: C2 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 51.4576413033 Matthew's coefficient (A^3/Da): 2.44674480821 Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 46.0640458925 Matthew's coefficient (A^3/Da): 2.20207032739 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 56.851236714 Matthew's coefficient (A^3/Da): 2.75258790924 Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 40.6704504818 Matthew's coefficient (A^3/Da): 2.00188211581 Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 62.2448321248 Matthew's coefficient (A^3/Da): 3.14581475342 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 35.2768550711 Matthew's coefficient (A^3/Da): 1.83505860616 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 67.6384275355 Matthew's coefficient (A^3/Da): 3.67011721232 Possible number of molecules in an asymmetric unit: 13.0 Solvent content (%): 29.8832596603 Matthew's coefficient (A^3/Da): 1.69390025184 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1gu9sf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 136434 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #5 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1gu9sf.ent.hkl Integration radius (A): 23.1407197796 Resolution (A): 23.1407197796, 3.96924867574 Section normal: b* Polar angle interval: 2 Kappa angle interval: 1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1gu9sf.ent.hkl Integration radius (A): 23.1407197796 Resolution (A): 23.1407197796, 3.96924867574 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 0.1890 90.0 18.7 25.7 -0.0918 0.0000 0.9958 0.1890 167.4 108.7 180.0 0.2172 -0.9759 0.0200 0.1700 90.0 137.2 120.0 0.9189 0.0000 -0.3944 0.1700 120.2 227.2 180.0 -0.3409 -0.5030 -0.7942 0.1700 90.0 136.5 120.0 0.9237 0.0000 -0.3832 0.1700 59.4 46.5 180.0 0.3298 0.5090 0.7950 0.1700 90.0 316.5 120.0 -0.9237 0.0000 0.3832 0.1700 120.6 46.5 180.0 0.3298 -0.5090 0.7950 0.1690 90.7 183.6 180.0 0.3481 -0.0122 -0.9374 0.1680 90.0 3.8 180.0 -0.3448 0.0000 0.9387 0.1640 90.0 140.5 180.0 0.8947 0.0000 -0.4467 0.1640 90.0 50.1 180.0 0.4404 0.0000 0.8978 0.1560 90.0 132.9 60.0 0.9459 0.0000 -0.3244 0.1560 30.7 42.9 180.0 0.1656 0.8599 0.4829 0.1540 90.0 313.0 60.0 -0.9453 0.0000 0.3261 0.1540 149.4 43.0 180.0 0.1660 -0.8607 0.4812 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 3 3 6 2 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 35.2768550711 Matthew's coefficient (A^3/Da): 1.83505860616 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 67.6384275355 Matthew's coefficient (A^3/Da): 3.67011721232