|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 72.5, 72.48, 72.47, 109.2, 109.55, 109.21 Space group: P1 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 50.8065425599 Matthew's coefficient (A^3/Da): 2.4143609801 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 43.7789057828 Matthew's coefficient (A^3/Da): 2.11256585759 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 57.8341793371 Matthew's coefficient (A^3/Da): 2.81675447679 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 36.7512690056 Matthew's coefficient (A^3/Da): 1.87783631786 Possible number of molecules in an asymmetric unit: 5.0 Solvent content (%): 64.8618161142 Matthew's coefficient (A^3/Da): 3.38010537214 Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 29.7236322285 Matthew's coefficient (A^3/Da): 1.69005268607 Possible number of molecules in an asymmetric unit: 4.0 Solvent content (%): 71.8894528914 Matthew's coefficient (A^3/Da): 4.22513171518 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1f1gsf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 233021 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1f1gsf.ent.hkl Integration radius (A): 22.0436211888 Resolution (A): 22.0436211888, 3.78106709928 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 0.8330 120.1 19.3 180.0 0.8165 0.2859 -0.5015 0.6460 120.2 89.9 180.0 0.0015 0.8643 -0.5030 0.5990 90.1 144.5 180.0 -0.8141 0.5807 -0.0017 0.5950 35.5 54.8 120.0 0.3347 0.4745 0.8141 0.2500 93.2 110.6 180.0 -0.3513 0.9346 -0.0558 0.2460 31.2 24.8 180.0 0.4703 0.2173 0.8554 0.2410 72.3 20.1 180.0 0.8946 0.3274 0.3040 0.2180 93.8 114.8 180.0 -0.4185 0.9058 -0.0663 0.2180 89.2 108.7 180.0 -0.3206 0.9471 0.0140 0.2060 46.8 32.7 180.0 0.6134 0.3938 0.6845 0.1980 168.0 16.9 180.0 0.1989 0.0604 -0.9781 0.1950 70.1 117.8 180.0 -0.4385 0.8318 0.3404 0.1940 99.7 114.3 180.0 -0.4056 0.8984 -0.1685 0.1940 30.7 40.8 180.0 0.3865 0.3336 0.8599 0.1900 31.1 12.8 180.0 0.5037 0.1144 0.8563 0.1890 153.1 12.8 180.0 0.4412 0.1002 -0.8918 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 15 3 1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 57.8341793371 Matthew's coefficient (A^3/Da): 2.81675447679