|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Direct cell parameters: 225.76, 225.76, 285.645, 90.0, 90.0, 120.0 Space group: P3221 Without information from self-rotation: Possible number of molecules in an asymmetric unit: 28.0 Solvent content (%): 50.5663139081 Matthew's coefficient (A^3/Da): 2.40262811676 Possible number of molecules in an asymmetric unit: 29.0 Solvent content (%): 48.8008251191 Matthew's coefficient (A^3/Da): 2.31977887136 Possible number of molecules in an asymmetric unit: 27.0 Solvent content (%): 52.3318026971 Matthew's coefficient (A^3/Da): 2.49161434331 Possible number of molecules in an asymmetric unit: 30.0 Solvent content (%): 47.0353363301 Matthew's coefficient (A^3/Da): 2.24245290898 Possible number of molecules in an asymmetric unit: 26.0 Solvent content (%): 54.0972914861 Matthew's coefficient (A^3/Da): 2.5874456642 Possible number of molecules in an asymmetric unit: 31.0 Solvent content (%): 45.2698475411 Matthew's coefficient (A^3/Da): 2.17011571837 Possible number of molecules in an asymmetric unit: 25.0 Solvent content (%): 55.8627802751 Matthew's coefficient (A^3/Da): 2.69094349077 Possible number of molecules in an asymmetric unit: 32.0 Solvent content (%): 43.5043587521 Matthew's coefficient (A^3/Da): 2.10229960217 Possible number of molecules in an asymmetric unit: 24.0 Solvent content (%): 57.6282690641 Matthew's coefficient (A^3/Da): 2.80306613622 Possible number of molecules in an asymmetric unit: 33.0 Solvent content (%): 41.7388699631 Matthew's coefficient (A^3/Da): 2.03859355362 Possible number of molecules in an asymmetric unit: 23.0 Solvent content (%): 59.3937578531 Matthew's coefficient (A^3/Da): 2.92493857693 Possible number of molecules in an asymmetric unit: 34.0 Solvent content (%): 39.9733811741 Matthew's coefficient (A^3/Da): 1.97863491969 Possible number of molecules in an asymmetric unit: 22.0 Solvent content (%): 61.1592466421 Matthew's coefficient (A^3/Da): 3.05789033042 Possible number of molecules in an asymmetric unit: 35.0 Solvent content (%): 38.2078923851 Matthew's coefficient (A^3/Da): 1.92210249341 Possible number of molecules in an asymmetric unit: 21.0 Solvent content (%): 62.9247354311 Matthew's coefficient (A^3/Da): 3.20350415568 Possible number of molecules in an asymmetric unit: 36.0 Solvent content (%): 36.4424035961 Matthew's coefficient (A^3/Da): 1.86871075748 Possible number of molecules in an asymmetric unit: 20.0 Solvent content (%): 64.6902242201 Matthew's coefficient (A^3/Da): 3.36367936347 Possible number of molecules in an asymmetric unit: 37.0 Solvent content (%): 34.6769148071 Matthew's coefficient (A^3/Da): 1.81820506133 Possible number of molecules in an asymmetric unit: 19.0 Solvent content (%): 66.4557130091 Matthew's coefficient (A^3/Da): 3.54071511944 Possible number of molecules in an asymmetric unit: 38.0 Solvent content (%): 32.9114260181 Matthew's coefficient (A^3/Da): 1.77035755972 Possible number of molecules in an asymmetric unit: 18.0 Solvent content (%): 68.2212017981 Matthew's coefficient (A^3/Da): 3.73742151496 Possible number of molecules in an asymmetric unit: 39.0 Solvent content (%): 31.1459372291 Matthew's coefficient (A^3/Da): 1.72496377614 Possible number of molecules in an asymmetric unit: 17.0 Solvent content (%): 69.9866905871 Matthew's coefficient (A^3/Da): 3.95726983937 SOURCE: cpl.io.reflection.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Reflection file: ./r1gt7sf.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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 207385 reflections loaded in. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #154 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.Patterson.selfRotation.function.__srf TYPE: general ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Self-rotation function Data file: ./r1gt7sf.ent.hkl Integration radius (A): 26.7692312156 Resolution (A): 26.7692312156, 4.59163485688 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 0.7390 0.0 360.0 90.0 0.0000 -0.0000 1.0000 0.7390 90.0 105.7 180.0 -0.2706 0.9627 0.0000 0.7390 180.0 0.0 90.0 0.0000 0.0000 -1.0000 0.7390 90.0 194.3 180.0 -0.9690 -0.2470 0.0000 0.7390 180.0 208.7 90.0 -0.0000 -0.0000 -1.0000 0.7390 90.0 254.3 180.0 -0.2706 -0.9627 0.0000 0.7390 180.0 268.5 90.0 -0.0000 -0.0000 -1.0000 0.7390 90.0 134.3 180.0 -0.6984 0.7157 0.0000 0.7390 0.0 30.9 90.0 0.0000 0.0000 1.0000 0.7390 90.0 165.7 180.0 -0.9690 0.2470 0.0000 0.7390 0.0 91.3 90.0 -0.0000 0.0000 1.0000 0.7390 90.0 225.7 180.0 -0.6984 -0.7157 0.0000 0.6920 180.0 0.0 45.0 0.0000 0.0000 -1.0000 0.6920 90.0 37.8 180.0 0.7902 0.6129 0.0000 0.6920 0.0 180.0 45.0 -0.0000 0.0000 1.0000 0.6920 90.0 82.2 180.0 0.1357 0.9907 0.0000 0.6920 0.0 43.7 45.0 0.0000 0.0000 1.0000 0.6920 90.0 202.2 180.0 -0.9259 -0.3778 0.0000 0.6920 180.0 255.9 45.0 -0.0000 -0.0000 -1.0000 0.6920 90.0 97.8 180.0 -0.1357 0.9907 0.0000 0.6920 180.0 315.3 45.0 0.0000 -0.0000 -1.0000 0.6920 90.0 157.8 180.0 -0.9259 0.3778 0.0000 0.6920 0.0 342.0 45.0 0.0000 -0.0000 1.0000 0.6920 90.0 142.2 180.0 -0.7902 0.6129 0.0000 0.6920 180.0 150.4 77.1 -0.0000 0.0000 -1.0000 0.6920 90.0 21.4 180.0 0.9311 0.3649 0.0000 0.6920 180.0 29.8 77.1 0.0000 0.0000 -1.0000 0.6920 90.0 81.4 180.0 0.1495 0.9888 0.0000 0.6920 180.0 269.8 77.1 -0.0000 -0.0000 -1.0000 0.6920 90.0 141.5 180.0 -0.7826 0.6225 0.0000 0.6920 0.0 330.4 77.1 0.0000 -0.0000 1.0000 0.6920 90.0 278.6 180.0 0.1495 -0.9888 0.0000 0.6920 0.0 209.8 77.1 -0.0000 -0.0000 1.0000 0.6920 90.0 338.6 180.0 0.9311 -0.3649 0.0000 0.6920 0.0 89.8 77.1 0.0000 0.0000 1.0000 0.6920 90.0 38.5 180.0 0.7826 0.6225 0.0000 0.6910 90.1 150.0 180.0 -0.8660 0.5000 -0.0017 0.6910 90.1 270.0 180.0 -0.0000 -1.0000 -0.0017 0.6910 90.1 30.0 180.0 0.8660 0.5000 -0.0017 0.6910 90.0 150.0 180.0 -0.8660 0.5000 0.0000 0.6910 90.0 150.0 180.0 -0.8660 0.5000 0.0000 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 23 4 6 8 6 14 6 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Possible number of molecules in an asymmetric unit: 32.0 Solvent content (%): 43.5043587521 Matthew's coefficient (A^3/Da): 2.10229960217 Possible number of molecules in an asymmetric unit: 24.0 Solvent content (%): 57.6282690641 Matthew's coefficient (A^3/Da): 2.80306613622