|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 137.0, 137.0, 373.3, 90.0, 90.0, 120.0 Space group: P61 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 50.5156512649 Matthew's coefficient (A^3/Da): 2.40016827857 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 46.0170741072 Matthew's coefficient (A^3/Da): 2.20015425536 Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 55.0142284227 Matthew's coefficient (A^3/Da): 2.64018510643 Possible number of molecules in an asymmetric unit: 13.0 Solvent content (%): 41.5184969495 Matthew's coefficient (A^3/Da): 2.03091162033 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 59.5128055804 Matthew's coefficient (A^3/Da): 2.93353900714 Possible number of molecules in an asymmetric unit: 14.0 Solvent content (%): 37.0199197917 Matthew's coefficient (A^3/Da): 1.88584650459 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 64.0113827381 Matthew's coefficient (A^3/Da): 3.30023138303 Possible number of molecules in an asymmetric unit: 15.0 Solvent content (%): 32.521342634 Matthew's coefficient (A^3/Da): 1.76012340428 Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 68.5099598959 Matthew's coefficient (A^3/Da): 3.77169300918 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1lnqsf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 56550 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #169 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1lnqsf.ent.hkl Integration radius (A): 28.6526926256 Resolution (A): 28.6526926256, 4.91469856356 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 0.9940 90.0 150.0 180.0 -0.8660 0.5000 0.0000 0.9940 90.0 240.0 180.0 -0.5000 -0.8660 0.0000 0.9940 90.0 60.0 180.0 0.5000 0.8660 0.0000 0.9940 90.0 60.0 180.0 0.5000 0.8660 0.0000 0.4990 90.0 14.0 180.0 0.9703 0.2419 0.0000 0.4990 90.0 224.0 180.0 -0.7193 -0.6947 0.0000 0.4990 90.0 284.0 180.0 0.2419 -0.9703 0.0000 0.4990 90.0 254.0 180.0 -0.2756 -0.9613 0.0000 0.4990 90.0 344.0 180.0 0.9613 -0.2756 0.0000 0.4990 90.0 134.0 180.0 -0.6947 0.7193 0.0000 0.4940 0.0 29.5 90.0 0.0000 0.0000 1.0000 0.4940 180.0 270.2 90.0 0.0000 -0.0000 -1.0000 0.4940 180.0 0.0 90.0 0.0000 0.0000 -1.0000 0.4940 0.0 0.3 90.0 0.0000 0.0000 1.0000 0.4940 0.0 91.2 90.0 -0.0000 0.0000 1.0000 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 4 5 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 46.0170741072 Matthew's coefficient (A^3/Da): 2.20015425536 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 64.0113827381 Matthew's coefficient (A^3/Da): 3.30023138303