|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 76.34, 81.03, 82.3, 70.3, 72.2, 66.4 Space group: P1 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 50.9382479597 Matthew's coefficient (A^3/Da): 2.42084228917 Possible number of molecules in an asymmetric unit: 11.0 Solvent content (%): 46.0320727557 Matthew's coefficient (A^3/Da): 2.20076571742 Possible number of molecules in an asymmetric unit: 9.0 Solvent content (%): 55.8444231638 Matthew's coefficient (A^3/Da): 2.68982476574 Possible number of molecules in an asymmetric unit: 12.0 Solvent content (%): 41.1258975517 Matthew's coefficient (A^3/Da): 2.0173685743 Possible number of molecules in an asymmetric unit: 8.0 Solvent content (%): 60.7505983678 Matthew's coefficient (A^3/Da): 3.02605286146 Possible number of molecules in an asymmetric unit: 13.0 Solvent content (%): 36.2197223477 Matthew's coefficient (A^3/Da): 1.86218637628 Possible number of molecules in an asymmetric unit: 7.0 Solvent content (%): 65.6567735718 Matthew's coefficient (A^3/Da): 3.45834612738 Possible number of molecules in an asymmetric unit: 14.0 Solvent content (%): 31.3135471436 Matthew's coefficient (A^3/Da): 1.72917306369 Possible number of molecules in an asymmetric unit: 6.0 Solvent content (%): 70.5629487758 Matthew's coefficient (A^3/Da): 4.03473714861 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1dw9sf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 187122 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1dw9sf.ent.hkl Integration radius (A): 22.1867654535 Resolution (A): 22.1867654535, 3.80562014639 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 0.7250 35.5 254.4 180.0 -0.1562 -0.5593 0.8141 0.7200 108.5 73.7 180.0 0.2662 0.9102 -0.3173 0.7120 89.3 163.5 72.0 -0.9587 0.2840 0.0122 0.7110 36.4 72.5 180.0 0.1784 0.5660 0.8049 0.7030 72.5 73.2 180.0 0.2757 0.9130 0.3007 0.6900 89.3 163.4 144.0 -0.9583 0.2857 0.0122 0.2920 86.6 169.6 180.0 -0.9818 0.1802 0.0593 0.2900 12.2 49.2 180.0 0.1381 0.1600 0.9774 0.2860 90.9 355.6 180.0 0.9969 -0.0767 -0.0157 0.2850 90.5 85.8 180.0 0.0732 0.9973 -0.0087 0.2810 15.7 255.0 180.0 -0.0700 -0.2614 0.9627 0.2780 53.2 252.7 180.0 -0.2381 -0.7645 0.5990 0.2740 87.4 347.6 180.0 0.9757 -0.2145 0.0454 0.2730 12.9 157.1 180.0 -0.2057 0.0869 0.9748 0.2710 90.2 161.2 36.0 -0.9466 0.3223 -0.0035 0.2710 93.2 167.2 163.6 -0.9736 0.2212 -0.0558 0.2700 89.5 161.8 108.0 -0.9499 0.3123 0.0087 0.2690 92.4 68.1 27.7 0.3727 0.9270 -0.0419 0.2690 19.1 69.5 180.0 0.1146 0.3065 0.9449 0.2680 91.2 342.8 180.0 0.9551 -0.2956 -0.0209 0.2670 53.8 71.3 180.0 0.2587 0.7644 0.5906 0.2650 14.3 332.8 180.0 0.2197 -0.1129 0.9690 0.2640 89.9 73.5 180.0 0.2840 0.9588 0.0017 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 17 5 2 10 2 11 1 13 1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 10.0 Solvent content (%): 50.9382479597 Matthew's coefficient (A^3/Da): 2.42084228917