# Crystallographic Information File (CIF) Data Processing Tools

## Documentation for package ‘crystract’ version 1.0.1

- DESCRIPTION file
- User guides, package vignettes and other documentation
- Package NEWS
- Package README

## Help Pages

aggregate_batch_results | Aggregate Batched Analysis Results
analyze_cif_files | Analyze a Batch of CIF Files
analyze_single_cif | Analyze the Content of a Single CIF File
apply_symmetry_operations | Apply Symmetry Operations to Generate a Full Unit Cell
brunner_nn_reciprocal | Identify Atomic Bonds using Brunner's Method (Reciprocal)
calculate_angles | Calculate Bond Angles
calculate_distances | Calculate Interatomic Distances
calculate_expansion_factors | Calculate Supercell Expansion Factors
calculate_neighbor_counts | Calculate Coordination Numbers
calculate_weighted_average_network_distance | Calculate Weighted Average Network Bond Distance
calculate_weighted_neighbor_counts | Calculate Weighted Coordination Numbers
covalent_radii | Atomic Radii Data for Bond-Length Estimation
crystal_nn | Identify Atomic Bonds using CrystalNN
econ_nn | Identify Atomic Bonds using Hoppe's EconNN Method
expand_transformed_coords | Expand Coordinates into a Supercell
export_analysis_to_csv | Export Analysis Results to a Directory of CSVs
extract_atomic_coordinates | Extract Atomic Coordinates
extract_chemical_formula | Extract Chemical Formula from CIF Content
extract_database_code | Extract Database Code from CIF Content
extract_space_group_name | Extract Space Group Name from CIF Content
extract_space_group_number | Extract Space Group Number from CIF Content
extract_structure_type | Extract Structure Type from CIF Content
extract_symmetry_operations | Extract Symmetry Operations
extract_unit_cell_metrics | Extract Unit Cell Metrics
filter_atoms_by_symbol | Filter Data by Atom Symbol Interactively
filter_by_elements | Filter Distances by Element Symbols
filter_by_wyckoff_symbol | Filter Data by Wyckoff Symbol
filter_ghost_distances | Filter Ghost Distances Using Atomic Radii
merge_sites_pbc | Merge Close Atoms (Pymatgen Style)
minimum_distance | Identify Atomic Bonds using the Minimum Distance Method
propagate_angle_error | Propagate Angle Error
propagate_distance_error | Propagate Distance Error
read_cif_files | Read CIF Files into Memory
set_radii_data | Set or Reset a Custom Atomic Radii Table
voronoi_nn | Identify Atomic Bonds using Voronoi Tessellation