|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 88.54, 65.02, 101.93, 90.0, 115.47, 90.0 Space group: P21 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 52.615207101 Matthew's coefficient (A^3/Da): 2.50651647614 Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 47.3502301122 Matthew's coefficient (A^3/Da): 2.25586482852 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 57.8801840898 Matthew's coefficient (A^3/Da): 2.81983103565 Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 42.0852531235 Matthew's coefficient (A^3/Da): 2.05078620775 Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 63.1451610786 Matthew's coefficient (A^3/Da): 3.22266404075 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 36.8202761347 Matthew's coefficient (A^3/Da): 1.8798873571 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 68.4101380673 Matthew's coefficient (A^3/Da): 3.7597747142 Possible number of molecules in an asymmetric unit: 13.0 Solvent content (%): 31.5552991459 Matthew's coefficient (A^3/Da): 1.73528063733 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1eefsf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 97005 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: ./r1eefsf.ent.hkl Integration radius (A): 19.3196058171 Resolution (A): 19.3196058171, 3.31382604067 Section normal: b* Polar angle interval: 2 Kappa angle interval: 1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1eefsf.ent.hkl Integration radius (A): 19.3196058171 Resolution (A): 19.3196058171, 3.31382604067 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 0.8520 90.0 115.8 72.0 1.0000 0.0000 -0.0058 0.8520 35.9 25.8 180.0 0.0034 0.8100 0.5864 0.8520 90.0 115.8 72.0 1.0000 0.0000 -0.0058 0.8520 35.8 25.8 180.0 0.0034 0.8111 0.5849 0.8520 90.0 295.8 72.0 -1.0000 0.0000 0.0058 0.8520 35.9 205.8 180.0 -0.0034 0.8100 -0.5864 0.8170 90.0 295.9 144.0 -1.0000 0.0000 0.0075 0.8170 108.1 25.9 180.0 0.0071 -0.3107 0.9505 0.8170 90.0 115.9 144.0 1.0000 0.0000 -0.0075 0.8170 71.9 25.9 180.0 0.0071 0.3107 0.9505 0.8170 90.0 115.9 144.0 1.0000 0.0000 -0.0075 0.8170 71.9 25.9 180.0 0.0071 0.3107 0.9505 0.3010 90.0 295.6 180.0 -1.0000 0.0000 0.0023 0.2180 90.0 15.2 180.0 -0.1783 0.0000 0.9840 0.2180 90.0 105.2 180.0 0.9840 0.0000 0.1783 0.2010 90.0 22.0 154.3 -0.0605 0.0000 0.9982 0.2010 102.6 112.0 180.0 0.9741 -0.2181 0.0591 0.1910 90.0 4.2 180.0 -0.3628 0.0000 0.9319 0.1910 90.0 94.2 180.0 0.9319 0.0000 0.3628 0.1860 99.0 103.9 110.8 0.9676 -0.1564 0.1981 0.1860 55.0 13.9 166.2 -0.1643 0.5736 0.8025 0.1860 81.0 283.9 110.8 -0.9676 0.1564 -0.1981 0.1860 125.0 13.9 166.2 -0.1643 -0.5736 0.8025 0.1860 81.4 104.8 110.8 0.9717 0.1495 0.1831 0.1860 125.2 194.9 166.2 0.1499 -0.5764 -0.8033 0.1860 98.6 104.8 110.8 0.9717 -0.1495 0.1831 0.1860 54.8 14.8 166.2 -0.1513 0.5764 0.8030 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 12 13 8 5 6 7 1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 47.3502301122 Matthew's coefficient (A^3/Da): 2.25586482852 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 57.8801840898 Matthew's coefficient (A^3/Da): 2.81983103565 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 36.8202761347 Matthew's coefficient (A^3/Da): 1.8798873571 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 68.4101380673 Matthew's coefficient (A^3/Da): 3.7597747142