|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 147.946, 118.043, 157.82, 90.0, 110.91, 90.0 Space group: C2 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 14.0 Solvent content (%): 50.671405155 Matthew's coefficient (A^3/Da): 2.40774675404 Possible number of molecules in an asymmetric unit: 15.0 Solvent content (%): 47.1479340947 Matthew's coefficient (A^3/Da): 2.24723030377 Possible number of molecules in an asymmetric unit: 13.0 Solvent content (%): 54.1948762154 Matthew's coefficient (A^3/Da): 2.59295804282 Possible number of molecules in an asymmetric unit: 16.0 Solvent content (%): 43.6244630343 Matthew's coefficient (A^3/Da): 2.10677840979 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 57.7183472757 Matthew's coefficient (A^3/Da): 2.80903787972 Possible number of molecules in an asymmetric unit: 17.0 Solvent content (%): 40.1009919739 Matthew's coefficient (A^3/Da): 1.98285026804 Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 61.2418183361 Matthew's coefficient (A^3/Da): 3.06440495969 Possible number of molecules in an asymmetric unit: 18.0 Solvent content (%): 36.5775209136 Matthew's coefficient (A^3/Da): 1.87269191981 Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 64.7652893964 Matthew's coefficient (A^3/Da): 3.37084545566 Possible number of molecules in an asymmetric unit: 19.0 Solvent content (%): 33.0540498532 Matthew's coefficient (A^3/Da): 1.77412918719 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 68.2887604568 Matthew's coefficient (A^3/Da): 3.74538383962 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1hkxsf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 141462 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: ./r1hkxsf.ent.hkl Integration radius (A): 22.7190788925 Resolution (A): 22.7190788925, 3.8969260536 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 0.8710 90.0 71.9 180.0 0.7770 0.0000 0.6295 0.8710 90.0 161.9 180.0 0.6295 0.0000 -0.7770 0.7970 90.0 161.7 25.7 0.6322 0.0000 -0.7748 0.7970 167.4 251.7 180.0 -0.1690 -0.9759 -0.1379 0.7900 90.0 341.7 25.7 -0.6322 0.0000 0.7748 0.7900 167.5 71.7 180.0 0.1677 -0.9763 0.1368 0.7900 90.0 161.7 25.7 0.6322 0.0000 -0.7748 0.7900 167.5 251.7 180.0 -0.1677 -0.9763 -0.1368 0.7550 90.0 161.7 51.4 0.6322 0.0000 -0.7748 0.7550 154.6 251.7 180.0 -0.3324 -0.9033 -0.2712 0.7510 90.0 161.9 154.3 0.6295 0.0000 -0.7770 0.7510 102.7 251.9 180.0 -0.7580 -0.2198 -0.6141 0.7490 90.0 161.7 51.4 0.6322 0.0000 -0.7748 0.7490 25.4 71.7 180.0 0.3324 0.9033 0.2712 0.7490 90.0 341.7 51.4 -0.6322 0.0000 0.7748 0.7490 154.6 71.7 180.0 0.3324 -0.9033 0.2712 0.7430 90.0 161.8 154.3 0.6308 0.0000 -0.7759 0.7430 77.3 71.8 180.0 0.7570 0.2198 0.6154 0.7430 90.0 341.8 154.3 -0.6308 0.0000 0.7759 0.7430 102.7 71.8 180.0 0.7570 -0.2198 0.6154 0.7350 90.0 161.8 128.6 0.6308 0.0000 -0.7759 0.7350 115.5 251.8 180.0 -0.7003 -0.4305 -0.5694 0.7330 90.0 161.7 77.1 0.6322 0.0000 -0.7748 0.7330 141.5 251.7 180.0 -0.4823 -0.7826 -0.3935 0.7300 90.0 161.8 77.1 0.6308 0.0000 -0.7759 0.7300 38.4 71.8 180.0 0.4820 0.7837 0.3918 0.7300 90.0 341.8 77.1 -0.6308 0.0000 0.7759 0.7300 141.6 71.8 180.0 0.4820 -0.7837 0.3918 0.7290 90.0 341.8 128.6 -0.6308 0.0000 0.7759 0.7290 115.5 71.8 180.0 0.7003 -0.4305 0.5694 0.7290 90.0 161.8 128.6 0.6308 0.0000 -0.7759 0.7290 64.5 71.8 180.0 0.7003 0.4305 0.5694 0.7170 90.0 161.9 102.9 0.6295 0.0000 -0.7770 0.7170 51.4 71.9 180.0 0.6073 0.6239 0.4919 0.7130 90.0 161.9 102.9 0.6295 0.0000 -0.7770 0.7130 51.5 71.9 180.0 0.6081 0.6225 0.4926 0.7130 90.0 341.9 102.9 -0.6295 0.0000 0.7770 0.7130 128.5 71.9 180.0 0.6081 -0.6225 0.4926 0.6080 90.0 0.0 25.7 -0.3569 0.0000 0.9341 0.6080 12.3 270.0 180.0 -0.1990 0.9770 -0.0760 0.3460 90.0 0.0 51.4 -0.3569 0.0000 0.9341 0.3460 25.8 270.0 180.0 -0.4066 0.9003 -0.1553 0.2840 90.0 56.2 180.0 0.5777 0.0000 0.8162 0.2840 90.0 146.8 180.0 0.8101 0.0000 -0.5862 0.2640 90.0 146.6 154.3 0.8122 0.0000 -0.5834 0.2640 102.8 236.6 180.0 -0.5689 -0.2215 -0.7920 0.2600 90.0 146.7 154.3 0.8112 0.0000 -0.5848 0.2600 77.3 56.7 180.0 0.5705 0.2198 0.7913 0.2600 90.0 326.7 154.3 -0.8112 0.0000 0.5848 0.2600 102.7 56.7 180.0 0.5705 -0.2198 0.7913 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 27 7 13 14 10 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 14.0 Solvent content (%): 50.671405155 Matthew's coefficient (A^3/Da): 2.40774675404