|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 150.97, 111.67, 138.68, 90.0, 117.77, 90.0 Space group: C2 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 25.0 Solvent content (%): 50.2572743187 Matthew's coefficient (A^3/Da): 2.38770116621 Possible number of molecules in an asymmetric unit: 26.0 Solvent content (%): 48.2675652914 Matthew's coefficient (A^3/Da): 2.29586650597 Possible number of molecules in an asymmetric unit: 24.0 Solvent content (%): 52.2469833459 Matthew's coefficient (A^3/Da): 2.4871887148 Possible number of molecules in an asymmetric unit: 27.0 Solvent content (%): 46.2778562641 Matthew's coefficient (A^3/Da): 2.21083441315 Possible number of molecules in an asymmetric unit: 23.0 Solvent content (%): 54.2366923732 Matthew's coefficient (A^3/Da): 2.59532735457 Possible number of molecules in an asymmetric unit: 28.0 Solvent content (%): 44.2881472369 Matthew's coefficient (A^3/Da): 2.13187604126 Possible number of molecules in an asymmetric unit: 22.0 Solvent content (%): 56.2264014004 Matthew's coefficient (A^3/Da): 2.71329677978 Possible number of molecules in an asymmetric unit: 29.0 Solvent content (%): 42.2984382096 Matthew's coefficient (A^3/Da): 2.05836307432 Possible number of molecules in an asymmetric unit: 21.0 Solvent content (%): 58.2161104277 Matthew's coefficient (A^3/Da): 2.84250138834 Possible number of molecules in an asymmetric unit: 30.0 Solvent content (%): 40.3087291824 Matthew's coefficient (A^3/Da): 1.98975097184 Possible number of molecules in an asymmetric unit: 20.0 Solvent content (%): 60.2058194549 Matthew's coefficient (A^3/Da): 2.98462645776 Possible number of molecules in an asymmetric unit: 31.0 Solvent content (%): 38.3190201551 Matthew's coefficient (A^3/Da): 1.92556545662 Possible number of molecules in an asymmetric unit: 19.0 Solvent content (%): 62.1955284822 Matthew's coefficient (A^3/Da): 3.1417120608 Possible number of molecules in an asymmetric unit: 32.0 Solvent content (%): 36.3293111279 Matthew's coefficient (A^3/Da): 1.8653915361 Possible number of molecules in an asymmetric unit: 18.0 Solvent content (%): 64.1852375094 Matthew's coefficient (A^3/Da): 3.31625161973 Possible number of molecules in an asymmetric unit: 33.0 Solvent content (%): 34.3396021006 Matthew's coefficient (A^3/Da): 1.80886451985 Possible number of molecules in an asymmetric unit: 17.0 Solvent content (%): 66.1749465367 Matthew's coefficient (A^3/Da): 3.51132524442 Possible number of molecules in an asymmetric unit: 34.0 Solvent content (%): 32.3498930734 Matthew's coefficient (A^3/Da): 1.75566262221 Possible number of molecules in an asymmetric unit: 16.0 Solvent content (%): 68.1646555639 Matthew's coefficient (A^3/Da): 3.7307830722 Possible number of molecules in an asymmetric unit: 35.0 Solvent content (%): 30.3601840461 Matthew's coefficient (A^3/Da): 1.705500833 Possible number of molecules in an asymmetric unit: 15.0 Solvent content (%): 70.1543645912 Matthew's coefficient (A^3/Da): 3.97950194368 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1c9ssf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 154404 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #5 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1c9ssf.ent.hkl Integration radius (A): 17.4578367354 Resolution (A): 17.4578367354, 2.99448314501 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 0.5760 90.0 180.0 30.0 0.4659 0.0000 -0.8848 0.5760 15.4 90.0 180.0 0.2350 0.9641 0.1237 0.4810 90.0 10.0 180.0 -0.3052 0.0000 0.9523 0.4810 90.0 100.0 180.0 0.9523 0.0000 0.3052 0.1760 90.0 131.4 90.0 0.9718 0.0000 -0.2357 0.1760 135.2 221.4 180.0 -0.1660 -0.7096 -0.6848 0.1540 90.0 180.0 150.0 0.4659 0.0000 -0.8848 0.1540 75.3 90.0 180.0 0.8559 0.2538 0.4507 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 5 12 2 4 1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 24.0 Solvent content (%): 52.2469833459 Matthew's coefficient (A^3/Da): 2.4871887148