Statistics for Structural Crystallography
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Documentation for package ‘cry’ version 0.5.1
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| angle | Constructor for an S3 object of class "angle" |
| avei_vs_res | Mean and standard deviation in resolution shells. |
| bravais | Constructor for an S3 object of class "bravais" |
| calculate_cell_volume | S3 generic to compute cell volume |
| calculate_cell_volume.rec_unit_cell | Volume of a reciprocal unit cell (in angstroms^(-3)) |
| calculate_cell_volume.unit_cell | Volume of a unit cell (in angstroms^3) |
| change_COLSRC | Change COLSRC date and time stamp |
| check_angle_validity | Validity and compatibility of a cry object of class 'angle' |
| check_bravais_validity | Validity and compatibility of a cry object of class 'bravais' |
| check_cryst_symm_validity | Validity and compatibility of a cry object of class 'cryst_symm' |
| check_merged_reflections_validity | Validity and compatibility of a cry object of class 'merged_reflections' |
| check_rec_unit_cell_validity | Validity and compatibility of a cry object of class 'rec_unit_cell' |
| check_unit_cell_validity | Validity and compatibility of a cry object of class 'unit_cell' |
| check_validity | Validity and compatibility of cry objects |
| create_merged_reflections | S3 generic to create merged_reflections objects |
| create_merged_reflections.default | Default method for generic "create_merged_reflections" |
| create_rec_unit_cell | S3 generic to create rec_unit_cell objects |
| create_rec_unit_cell.bravais | Reciprocal unit cell starting from a Bravais symbol |
| create_rec_unit_cell.cryst_symm | Reciprocal unit cell from a 'cryst_symm' object |
| create_rec_unit_cell.default | Default method for generic "create_rec_unit_cell" |
| create_rec_unit_cell.unit_cell | Reciprocal unit cell starting from a unit cell |
| create_unit_cell | S3 generic to create unit_cell objects |
| create_unit_cell.bravais | Unit cell starting from a Bravais symbol |
| create_unit_cell.cryst_symm | Unit cell from a 'cryst_symm' object |
| create_unit_cell.default | Default method for generic "create_unit_cell" |
| create_unit_cell.rec_unit_cell | Unit cell starting from a reciprocal unit cell |
| crystal_family | Crystal family corresponding to given space group. |
| crystal_system | Crystal system corresponding to given space group. |
| cryst_symm | Constructor for an S3 object of class "cryst_symm". |
| deplete_systematic_absences | Deplete systematic absences |
| extract_symmetry_info | Information on a specific space group |
| findHM | Correct spelling for Herman-Mauguin space groups symbols |
| find_symm_setting | Find specific space group setting |
| frac_to_orth | From fractional to orthogonal coordinates |
| full_symm_strings | Symmetry operations in human readable form |
| generate_miller | Generate Miller indices |
| hkl_to_reso | Calculates resolution, given the Miller indices |
| lattice_stuff | Calculation of useful lattice parameters |
| lowest_uc_compatible_SG | Space group compatible with given cell |
| merged_reflections | Constructor for an S3 object of class "merged_reflections". |
| num_symm_settings | Number of space group settings |
| op_xyz_list_to_matrix_list | List of matrices and vectors of a specific space group |
| op_xyz_to_matrix | Human-readable symmetry operator into matrix and vector |
| orth_to_frac | From orthogonal to fractional coordinates |
| plot_SHELX | Plot SHELXC log files |
| print.angle | Print method for an object of class "angle". |
| print.bravais | Print method for an object of class "bravais". |
| print.cryst_symm | Print method for an object of class "cryst_symm". |
| print.merged_reflections | Print method for an object of class "unit_cell". |
| print.rec_unit_cell | Print method for an object of class "rec_unit_cell". |
| print.unit_cell | Print method for an object of class "unit_cell". |
| readCIF | Reads and output a CIF file |
| readmm_CIF | Reads and output an mmCIF file |
| readMTZ | Load an MTZ file |
| readMTZHeader | Reads and output an MTZ header |
| readpd_rtv | Reads and output a CIF file for powder diffraction |
| readSF_CIF | Reads and output an CIF file |
| readsm_REFL | Reads and output an CIF file |
| readXDS_ASCII | Load an XDS_ASCII file. |
| readXDS_ASCIIHeader | Load an XDS_ASCII file's header. |
| read_SHELX_log | Reads and SHELXD log files |
| rec_unit_cell | Constructor for an S3 object of class "rec_unit_cell. |
| syminfo_to_matrix_list | Operators of a specific space group in matrix form |
| syminfo_to_op_xyz_list | Operators of a specific space group |
| symm_to_cell_const | Cell parameter constrains from symmetry |
| sysabs | Locate systematic absences |
| theme_cry | cry theme for ggplot2 |
| translate_SG | Translation of space group symbols, numbers, etc. |
| unit_cell | Constructor for an S3 object of class "unit_cell. |
| writeMTZ | Write data to an MTZ file |
| writeXDS_ASCII | Write data to an XDS_ASCII file. |
| xtal_mat01 | Matrix for cell orthogonalisation (first choice) |
| xtal_mat02 | Matrix for cell orthogonalisation (second choice) |