R: Statistics for Structural Crystallography

# Statistics for Structural Crystallography

## Documentation for package ‘cry’ version 0.5.1

- DESCRIPTION file.
- User guides, package vignettes and other documentation.

## Help Pages

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)