|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 65.254, 109.956, 83.756, 90.0, 95.81, 90.0 Space group: P21 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 14.0 Solvent content (%): 48.6367910318 Matthew's coefficient (A^3/Da): 2.31237040102 Possible number of molecules in an asymmetric unit: 13.0 Solvent content (%): 52.3055916724 Matthew's coefficient (A^3/Da): 2.49024504726 Possible number of molecules in an asymmetric unit: 15.0 Solvent content (%): 44.9679903912 Matthew's coefficient (A^3/Da): 2.15821237429 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 55.974392313 Matthew's coefficient (A^3/Da): 2.69776546786 Possible number of molecules in an asymmetric unit: 16.0 Solvent content (%): 41.2991897507 Matthew's coefficient (A^3/Da): 2.0233241009 Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 59.6431929536 Matthew's coefficient (A^3/Da): 2.94301687403 Possible number of molecules in an asymmetric unit: 17.0 Solvent content (%): 37.6303891101 Matthew's coefficient (A^3/Da): 1.90430503614 Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 63.3119935942 Matthew's coefficient (A^3/Da): 3.23731856143 Possible number of molecules in an asymmetric unit: 18.0 Solvent content (%): 33.9615884695 Matthew's coefficient (A^3/Da): 1.79851031191 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 66.9807942347 Matthew's coefficient (A^3/Da): 3.59702062381 Possible number of molecules in an asymmetric unit: 19.0 Solvent content (%): 30.2927878289 Matthew's coefficient (A^3/Da): 1.70385187444 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 70.6495948753 Matthew's coefficient (A^3/Da): 4.04664820179 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1lojsf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 89353 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: ./r1lojsf.ent.hkl Integration radius (A): 17.8325819014 Resolution (A): 17.8325819014, 3.05876190418 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 0.4830 90.0 30.8 120.0 0.4225 0.0000 0.9064 0.4830 119.8 120.8 180.0 0.7865 -0.4970 -0.3666 0.4830 90.0 30.7 120.0 0.4209 0.0000 0.9071 0.4830 120.0 120.7 180.0 0.7856 -0.5000 -0.3645 0.4830 90.0 210.7 120.0 -0.4209 0.0000 -0.9071 0.4830 60.0 120.7 180.0 0.7856 0.5000 -0.3645 0.4360 90.0 56.4 90.0 0.7726 0.0000 0.6349 0.4360 44.2 326.4 180.0 -0.4426 0.7169 0.5386 0.4360 90.0 56.4 90.0 0.7726 0.0000 0.6349 0.4360 135.8 146.4 180.0 0.4426 -0.7169 -0.5386 0.4360 90.0 236.4 90.0 -0.7726 0.0000 -0.6349 0.4360 44.2 146.4 180.0 0.4426 0.7169 -0.5386 0.4190 127.6 5.1 51.4 -0.0098 -0.6101 0.7922 0.4190 20.7 275.1 154.3 -0.3534 0.9354 -0.0044 0.4190 52.4 5.1 51.4 -0.0098 0.6101 0.7922 0.4190 159.3 95.1 154.3 0.3534 -0.9354 0.0044 0.4130 127.6 185.1 51.4 0.0098 -0.6101 -0.7922 0.4130 20.7 95.1 154.3 0.3534 0.9354 0.0044 0.4130 52.4 5.1 51.4 -0.0098 0.6101 0.7922 0.4130 159.3 95.1 154.3 0.3534 -0.9354 0.0044 0.3880 90.0 93.9 180.0 0.9994 0.0000 0.0333 0.3880 90.0 3.9 180.0 -0.0333 0.0000 0.9994 0.3670 51.8 180.0 51.4 0.0796 0.6184 -0.7818 0.3670 159.9 270.0 154.3 -0.3419 -0.9391 -0.0348 0.3670 128.2 180.0 51.4 0.0796 -0.6184 -0.7818 0.3670 20.1 90.0 154.3 0.3419 0.9391 0.0348 0.3570 90.0 94.5 77.1 0.9997 0.0000 0.0229 0.3570 37.4 4.5 180.0 -0.0139 0.7944 0.6072 0.3520 90.0 94.5 77.1 0.9997 0.0000 0.0229 0.3520 37.5 4.5 180.0 -0.0139 0.7934 0.6086 0.3520 90.0 274.5 77.1 -0.9997 0.0000 -0.0229 0.3520 142.5 4.5 180.0 -0.0139 -0.7934 0.6086 0.3160 90.0 158.8 120.0 0.4541 0.0000 -0.8909 0.3160 119.0 248.8 180.0 -0.7792 -0.4848 -0.3972 0.3130 90.0 36.8 108.0 0.5149 0.0000 0.8573 0.3130 125.7 126.8 180.0 0.6962 -0.5835 -0.4181 0.3060 90.0 339.0 120.0 -0.4510 0.0000 0.8925 0.3060 118.9 69.0 180.0 0.7814 -0.4833 0.3949 0.3060 90.0 159.0 120.0 0.4510 0.0000 -0.8925 0.3060 61.1 69.0 180.0 0.7814 0.4833 0.3949 0.3050 90.0 43.1 102.9 0.6058 0.0000 0.7956 0.3050 50.3 313.1 180.0 -0.6121 0.6388 0.4661 0.3050 90.0 223.1 102.9 -0.6058 0.0000 -0.7956 0.3050 50.3 133.1 180.0 0.6121 0.6388 -0.4661 0.2990 73.9 94.5 102.9 0.9605 0.2773 0.0220 0.2990 127.5 184.5 154.3 0.0181 -0.6088 -0.7931 0.2990 106.1 94.5 102.9 0.9605 -0.2773 0.0220 0.2990 52.5 4.5 154.3 -0.0181 0.6088 0.7931 0.2970 90.0 18.7 144.0 0.2231 0.0000 0.9748 0.2970 72.2 288.7 180.0 -0.9281 0.3057 0.2124 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 18 7 18 3 6 4 3 9 3 5 1 10 1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 14.0 Solvent content (%): 48.6367910318 Matthew's coefficient (A^3/Da): 2.31237040102