Package index • cry

All functions

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 cubic angstroms)

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

cryst_symm(): Constructor for an S3 object of class "cryst_symm".

crystal_family(): Crystal family corresponding to given space group.

crystal_system(): Crystal system corresponding to given space group.

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(<rec_unit_cell>): Print method for an object of class "rec_unit_cell".

print(<unit_cell>) print(<merged_reflections>): 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

readSF_CIF(): 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

readpd_rtv(): Reads and output a CIF file for powder diffraction

readsm_REFL(): Reads and output an CIF file

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)