|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 117.259, 127.319, 191.227, 90.0, 90.29, 90.0 Space group: P21 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 25.0 Solvent content (%): 50.4381352213 Matthew's coefficient (A^3/Da): 2.39641435305 Possible number of molecules in an asymmetric unit: 26.0 Solvent content (%): 48.4556606302 Matthew's coefficient (A^3/Da): 2.30424457024 Possible number of molecules in an asymmetric unit: 24.0 Solvent content (%): 52.4206098125 Matthew's coefficient (A^3/Da): 2.4962649511 Possible number of molecules in an asymmetric unit: 27.0 Solvent content (%): 46.473186039 Matthew's coefficient (A^3/Da): 2.21890217875 Possible number of molecules in an asymmetric unit: 23.0 Solvent content (%): 54.4030844036 Matthew's coefficient (A^3/Da): 2.60479820984 Possible number of molecules in an asymmetric unit: 28.0 Solvent content (%): 44.4907114479 Matthew's coefficient (A^3/Da): 2.13965567237 Possible number of molecules in an asymmetric unit: 22.0 Solvent content (%): 56.3855589948 Matthew's coefficient (A^3/Da): 2.72319812847 Possible number of molecules in an asymmetric unit: 29.0 Solvent content (%): 42.5082368567 Matthew's coefficient (A^3/Da): 2.06587444229 Possible number of molecules in an asymmetric unit: 21.0 Solvent content (%): 58.3680335859 Matthew's coefficient (A^3/Da): 2.85287422982 Possible number of molecules in an asymmetric unit: 30.0 Solvent content (%): 40.5257622656 Matthew's coefficient (A^3/Da): 1.99701196088 Possible number of molecules in an asymmetric unit: 20.0 Solvent content (%): 60.3505081771 Matthew's coefficient (A^3/Da): 2.99551794131 Possible number of molecules in an asymmetric unit: 31.0 Solvent content (%): 38.5432876745 Matthew's coefficient (A^3/Da): 1.9325922202 Possible number of molecules in an asymmetric unit: 19.0 Solvent content (%): 62.3329827682 Matthew's coefficient (A^3/Da): 3.15317678033 Possible number of molecules in an asymmetric unit: 32.0 Solvent content (%): 36.5608130833 Matthew's coefficient (A^3/Da): 1.87219871332 Possible number of molecules in an asymmetric unit: 18.0 Solvent content (%): 64.3154573594 Matthew's coefficient (A^3/Da): 3.32835326813 Possible number of molecules in an asymmetric unit: 33.0 Solvent content (%): 34.5783384922 Matthew's coefficient (A^3/Da): 1.81546541898 Possible number of molecules in an asymmetric unit: 17.0 Solvent content (%): 66.2979319505 Matthew's coefficient (A^3/Da): 3.52413875449 Possible number of molecules in an asymmetric unit: 34.0 Solvent content (%): 32.595863901 Matthew's coefficient (A^3/Da): 1.76206937724 Possible number of molecules in an asymmetric unit: 16.0 Solvent content (%): 68.2804065417 Matthew's coefficient (A^3/Da): 3.74439742664 Possible number of molecules in an asymmetric unit: 35.0 Solvent content (%): 30.6133893099 Matthew's coefficient (A^3/Da): 1.71172453789 Possible number of molecules in an asymmetric unit: 15.0 Solvent content (%): 70.2628811328 Matthew's coefficient (A^3/Da): 3.99402392175 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1h2isf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 149457 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #4 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1h2isf.ent.hkl Integration radius (A): 24.4587643329 Resolution (A): 24.4587643329, 4.19532835898 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 0.6360 90.0 36.8 180.0 0.5950 0.0000 0.8038 0.6360 90.0 126.6 180.0 0.8058 0.0000 -0.5922 0.6230 90.0 172.4 180.0 0.1373 0.0000 -0.9905 0.6230 90.0 262.6 180.0 -0.9910 0.0000 -0.1338 0.4100 90.0 103.4 180.0 0.9739 0.0000 -0.2268 0.4100 90.0 13.5 180.0 0.2285 0.0000 0.9735 0.3690 90.0 149.0 180.0 0.5194 0.0000 -0.8545 0.3690 90.0 57.9 180.0 0.8444 0.0000 0.5357 0.0760 90.0 175.5 120.0 0.0835 0.0000 -0.9965 0.0760 119.7 265.5 180.0 -0.8656 -0.4955 -0.0725 0.0580 90.0 78.8 102.9 0.9800 0.0000 0.1992 0.0580 128.2 168.8 180.0 0.1565 -0.6184 -0.7701 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 1 7 1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 24.0 Solvent content (%): 52.4206098125 Matthew's coefficient (A^3/Da): 2.4962649511 Possible number of molecules in an asymmetric unit: 30.0 Solvent content (%): 40.5257622656 Matthew's coefficient (A^3/Da): 1.99701196088 Possible number of molecules in an asymmetric unit: 18.0 Solvent content (%): 64.3154573594 Matthew's coefficient (A^3/Da): 3.32835326813