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  "Package": "cry",
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  "Title": "Statistics for Structural Crystallography",
  "Version": "0.5.2",
  "Date": "2025-06-18",
  "Authors@R": "c(\nperson(\"James\",\"Foadi\",email=\"james_foadi@yahoo.co.uk\",role=c(\"aut\",\"cre\")),\nperson(\"David\",\"Waterman\",email=\"david.waterman@stfc.ac.uk\",role=\"aut\"),\nperson(\"Rita\",\"Giordano\",email=\"rgiordano@gmx.com\",role=\"aut\"),\nperson(\"Kutumbarao\",\"Nidamarthi\",email=\"kuttu.nani@gmail.com\",role=\"aut\")\n)",
  "Description": "Reading and writing of files in the most commonly used\nformats of structural crystallography. It includes functions to\nwork with a variety of statistics used in this field and\nfunctions to perform basic crystallographic computing.\nReferences: D. G. Waterman, J. Foadi, G. Evans (2011)\n<doi:10.1107/S0108767311084303>.",
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  "URL": "https://jfoadi.github.io/cry/",
  "Repository": "https://jfoadi.r-universe.dev",
  "Date/Publication": "2025-06-19 17:07:23 UTC",
  "RemoteUrl": "https://github.com/jfoadi/cry",
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    "User": "root"
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  "Author": "James Foadi [aut, cre],\nDavid Waterman [aut],\nRita Giordano [aut],\nKutumbarao Nidamarthi [aut]",
  "Maintainer": "James Foadi <james_foadi@yahoo.co.uk>",
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  "_exports": [
    "angle",
    "avei_vs_res",
    "bravais",
    "calculate_cell_volume",
    "change_COLSRC",
    "check_angle_validity",
    "check_bravais_validity",
    "check_cryst_symm_validity",
    "check_merged_reflections_validity",
    "check_rec_unit_cell_validity",
    "check_unit_cell_validity",
    "check_validity",
    "create_merged_reflections",
    "create_rec_unit_cell",
    "create_unit_cell",
    "cryst_symm",
    "crystal_family",
    "crystal_system",
    "deplete_systematic_absences",
    "extract_symmetry_info",
    "find_symm_setting",
    "findHM",
    "frac_to_orth",
    "full_symm_strings",
    "generate_miller",
    "hkl_to_reso",
    "lattice_stuff",
    "lowest_uc_compatible_SG",
    "merged_reflections",
    "num_symm_settings",
    "op_xyz_list_to_matrix_list",
    "op_xyz_to_matrix",
    "orth_to_frac",
    "plot_SHELX",
    "read_SHELX_log",
    "readCIF",
    "readmm_CIF",
    "readMTZ",
    "readMTZHeader",
    "readpd_rtv",
    "readSF_CIF",
    "readsm_REFL",
    "readXDS_ASCII",
    "readXDS_ASCIIHeader",
    "rec_unit_cell",
    "syminfo_to_matrix_list",
    "syminfo_to_op_xyz_list",
    "symm_to_cell_const",
    "sysabs",
    "theme_cry",
    "translate_SG",
    "unit_cell",
    "writeMTZ",
    "writeXDS_ASCII",
    "xtal_mat01",
    "xtal_mat02"
  ],
  "_help": [
    {
      "page": "angle",
      "title": "Constructor for an S3 object of class \"angle\"",
      "topics": [
        "angle"
      ]
    },
    {
      "page": "avei_vs_res",
      "title": "Mean and standard deviation in resolution shells.",
      "topics": [
        "avei_vs_res"
      ]
    },
    {
      "page": "bravais",
      "title": "Constructor for an S3 object of class \"bravais\"",
      "topics": [
        "bravais"
      ]
    },
    {
      "page": "calculate_cell_volume",
      "title": "S3 generic to compute cell volume",
      "topics": [
        "calculate_cell_volume"
      ]
    },
    {
      "page": "calculate_cell_volume.rec_unit_cell",
      "title": "Volume of a reciprocal unit cell (in angstroms^(-3))",
      "topics": [
        "calculate_cell_volume.rec_unit_cell"
      ]
    },
    {
      "page": "calculate_cell_volume.unit_cell",
      "title": "Volume of a unit cell (in cubic angstroms)",
      "topics": [
        "calculate_cell_volume.unit_cell"
      ]
    },
    {
      "page": "change_COLSRC",
      "title": "Change COLSRC date and time stamp",
      "topics": [
        "change_COLSRC"
      ]
    },
    {
      "page": "check_angle_validity",
      "title": "Validity and compatibility of a cry object of class 'angle'",
      "topics": [
        "check_angle_validity"
      ]
    },
    {
      "page": "check_bravais_validity",
      "title": "Validity and compatibility of a cry object of class 'bravais'",
      "topics": [
        "check_bravais_validity"
      ]
    },
    {
      "page": "check_cryst_symm_validity",
      "title": "Validity and compatibility of a cry object of class 'cryst_symm'",
      "topics": [
        "check_cryst_symm_validity"
      ]
    },
    {
      "page": "check_merged_reflections_validity",
      "title": "Validity and compatibility of a cry object of class 'merged_reflections'",
      "topics": [
        "check_merged_reflections_validity"
      ]
    },
    {
      "page": "check_rec_unit_cell_validity",
      "title": "Validity and compatibility of a cry object of class 'rec_unit_cell'",
      "topics": [
        "check_rec_unit_cell_validity"
      ]
    },
    {
      "page": "check_unit_cell_validity",
      "title": "Validity and compatibility of a cry object of class 'unit_cell'",
      "topics": [
        "check_unit_cell_validity"
      ]
    },
    {
      "page": "check_validity",
      "title": "Validity and compatibility of cry objects",
      "topics": [
        "check_validity"
      ]
    },
    {
      "page": "create_merged_reflections",
      "title": "S3 generic to create merged_reflections objects",
      "topics": [
        "create_merged_reflections"
      ]
    },
    {
      "page": "create_merged_reflections.default",
      "title": "Default method for generic \"create_merged_reflections\"",
      "topics": [
        "create_merged_reflections.default"
      ]
    },
    {
      "page": "create_rec_unit_cell",
      "title": "S3 generic to create rec_unit_cell objects",
      "topics": [
        "create_rec_unit_cell"
      ]
    },
    {
      "page": "create_rec_unit_cell.bravais",
      "title": "Reciprocal unit cell starting from a Bravais symbol",
      "topics": [
        "create_rec_unit_cell.bravais"
      ]
    },
    {
      "page": "create_rec_unit_cell.cryst_symm",
      "title": "Reciprocal unit cell from a 'cryst_symm' object",
      "topics": [
        "create_rec_unit_cell.cryst_symm"
      ]
    },
    {
      "page": "create_rec_unit_cell.default",
      "title": "Default method for generic \"create_rec_unit_cell\"",
      "topics": [
        "create_rec_unit_cell.default"
      ]
    },
    {
      "page": "create_rec_unit_cell.unit_cell",
      "title": "Reciprocal unit cell starting from a unit cell",
      "topics": [
        "create_rec_unit_cell.unit_cell"
      ]
    },
    {
      "page": "create_unit_cell",
      "title": "S3 generic to create unit_cell objects",
      "topics": [
        "create_unit_cell"
      ]
    },
    {
      "page": "create_unit_cell.bravais",
      "title": "Unit cell starting from a Bravais symbol",
      "topics": [
        "create_unit_cell.bravais"
      ]
    },
    {
      "page": "create_unit_cell.cryst_symm",
      "title": "Unit cell from a 'cryst_symm' object",
      "topics": [
        "create_unit_cell.cryst_symm"
      ]
    },
    {
      "page": "create_unit_cell.default",
      "title": "Default method for generic \"create_unit_cell\"",
      "topics": [
        "create_unit_cell.default"
      ]
    },
    {
      "page": "create_unit_cell.rec_unit_cell",
      "title": "Unit cell starting from a reciprocal unit cell",
      "topics": [
        "create_unit_cell.rec_unit_cell"
      ]
    },
    {
      "page": "cryst_symm",
      "title": "Constructor for an S3 object of class \"cryst_symm\".",
      "topics": [
        "cryst_symm"
      ]
    },
    {
      "page": "crystal_family",
      "title": "Crystal family corresponding to given space group.",
      "topics": [
        "crystal_family"
      ]
    },
    {
      "page": "crystal_system",
      "title": "Crystal system corresponding to given space group.",
      "topics": [
        "crystal_system"
      ]
    },
    {
      "page": "deplete_systematic_absences",
      "title": "Deplete systematic absences",
      "topics": [
        "deplete_systematic_absences"
      ]
    },
    {
      "page": "extract_symmetry_info",
      "title": "Information on a specific space group",
      "topics": [
        "extract_symmetry_info"
      ]
    },
    {
      "page": "find_symm_setting",
      "title": "Find specific space group setting",
      "topics": [
        "find_symm_setting"
      ]
    },
    {
      "page": "findHM",
      "title": "Correct spelling for Herman-Mauguin space groups symbols",
      "topics": [
        "findHM"
      ]
    },
    {
      "page": "frac_to_orth",
      "title": "From fractional to orthogonal coordinates",
      "topics": [
        "frac_to_orth"
      ]
    },
    {
      "page": "full_symm_strings",
      "title": "Symmetry operations in human readable form",
      "topics": [
        "full_symm_strings"
      ]
    },
    {
      "page": "generate_miller",
      "title": "Generate Miller indices",
      "topics": [
        "generate_miller"
      ]
    },
    {
      "page": "hkl_to_reso",
      "title": "Calculates resolution, given the Miller indices",
      "topics": [
        "hkl_to_reso"
      ]
    },
    {
      "page": "lattice_stuff",
      "title": "Calculation of useful lattice parameters",
      "topics": [
        "lattice_stuff"
      ]
    },
    {
      "page": "lowest_uc_compatible_SG",
      "title": "Space group compatible with given cell",
      "topics": [
        "lowest_uc_compatible_SG"
      ]
    },
    {
      "page": "merged_reflections",
      "title": "Constructor for an S3 object of class \"merged_reflections\".",
      "topics": [
        "merged_reflections"
      ]
    },
    {
      "page": "num_symm_settings",
      "title": "Number of space group settings",
      "topics": [
        "num_symm_settings"
      ]
    },
    {
      "page": "op_xyz_list_to_matrix_list",
      "title": "List of matrices and vectors of a specific space group",
      "topics": [
        "op_xyz_list_to_matrix_list"
      ]
    },
    {
      "page": "op_xyz_to_matrix",
      "title": "Human-readable symmetry operator into matrix and vector",
      "topics": [
        "op_xyz_to_matrix"
      ]
    },
    {
      "page": "orth_to_frac",
      "title": "From orthogonal to fractional coordinates",
      "topics": [
        "orth_to_frac"
      ]
    },
    {
      "page": "plot_SHELX",
      "title": "Plot SHELXC log files",
      "topics": [
        "plot_SHELX"
      ]
    },
    {
      "page": "print.angle",
      "title": "Print method for an object of class \"angle\".",
      "topics": [
        "print.angle"
      ]
    },
    {
      "page": "print.bravais",
      "title": "Print method for an object of class \"bravais\".",
      "topics": [
        "print.bravais"
      ]
    },
    {
      "page": "print.cryst_symm",
      "title": "Print method for an object of class \"cryst_symm\".",
      "topics": [
        "print.cryst_symm"
      ]
    },
    {
      "page": "print.rec_unit_cell",
      "title": "Print method for an object of class \"rec_unit_cell\".",
      "topics": [
        "print.rec_unit_cell"
      ]
    },
    {
      "page": "print.unit_cell",
      "title": "Print method for an object of class \"unit_cell\".",
      "topics": [
        "print.merged_reflections",
        "print.unit_cell"
      ]
    },
    {
      "page": "read_SHELX_log",
      "title": "Reads and SHELXD log files",
      "topics": [
        "read_SHELX_log"
      ]
    },
    {
      "page": "readCIF",
      "title": "Reads and output a CIF file",
      "topics": [
        "readCIF"
      ]
    },
    {
      "page": "readMM_CIF",
      "title": "Reads and output an mmCIF file",
      "topics": [
        "readmm_CIF"
      ]
    },
    {
      "page": "readMTZ",
      "title": "Load an MTZ file",
      "topics": [
        "readMTZ"
      ]
    },
    {
      "page": "readMTZHeader",
      "title": "Reads and output an MTZ header",
      "topics": [
        "readMTZHeader"
      ]
    },
    {
      "page": "readpd_rtv",
      "title": "Reads and output a CIF file for powder diffraction",
      "topics": [
        "readpd_rtv"
      ]
    },
    {
      "page": "readSF_CIF",
      "title": "Reads and output an CIF file",
      "topics": [
        "readSF_CIF"
      ]
    },
    {
      "page": "readsm_REFL",
      "title": "Reads and output an CIF file",
      "topics": [
        "readsm_REFL"
      ]
    },
    {
      "page": "readXDS_ASCII",
      "title": "Load an XDS_ASCII file.",
      "topics": [
        "readXDS_ASCII"
      ]
    },
    {
      "page": "readXDS_ASCIIHeader",
      "title": "Load an XDS_ASCII file's header.",
      "topics": [
        "readXDS_ASCIIHeader"
      ]
    },
    {
      "page": "rec_unit_cell",
      "title": "Constructor for an S3 object of class \"rec_unit_cell.",
      "topics": [
        "rec_unit_cell"
      ]
    },
    {
      "page": "syminfo_to_matrix_list",
      "title": "Operators of a specific space group in matrix form",
      "topics": [
        "syminfo_to_matrix_list"
      ]
    },
    {
      "page": "syminfo_to_op_xyz_list",
      "title": "Operators of a specific space group",
      "topics": [
        "syminfo_to_op_xyz_list"
      ]
    },
    {
      "page": "symm_to_cell_const",
      "title": "Cell parameter constrains from symmetry",
      "topics": [
        "symm_to_cell_const"
      ]
    },
    {
      "page": "sysabs",
      "title": "Locate systematic absences",
      "topics": [
        "sysabs"
      ]
    },
    {
      "page": "theme_cry",
      "title": "cry theme for ggplot2",
      "topics": [
        "theme_cry"
      ]
    },
    {
      "page": "translate_SG",
      "title": "Translation of space group symbols, numbers, etc.",
      "topics": [
        "translate_SG"
      ]
    },
    {
      "page": "unit_cell",
      "title": "Constructor for an S3 object of class \"unit_cell.",
      "topics": [
        "unit_cell"
      ]
    },
    {
      "page": "writeMTZ",
      "title": "Write data to an MTZ file",
      "topics": [
        "writeMTZ"
      ]
    },
    {
      "page": "writeXDS_ASCII",
      "title": "Write data to an XDS_ASCII file.",
      "topics": [
        "writeXDS_ASCII"
      ]
    },
    {
      "page": "xtal_mat01",
      "title": "Matrix for cell orthogonalisation (first choice)",
      "topics": [
        "xtal_mat01"
      ]
    },
    {
      "page": "xtal_mat02",
      "title": "Matrix for cell orthogonalisation (second choice)",
      "topics": [
        "xtal_mat02"
      ]
    }
  ],
  "_pkglogo": "https://github.com/jfoadi/cry/raw/HEAD/man/figures/logo.png",
  "_readme": "https://github.com/jfoadi/cry/raw/HEAD/README.md",
  "_rundeps": [
    "cli",
    "cpp11",
    "farver",
    "ggplot2",
    "glue",
    "gtable",
    "isoband",
    "labeling",
    "lattice",
    "lifecycle",
    "R6",
    "RColorBrewer",
    "rlang",
    "S7",
    "scales",
    "vctrs",
    "viridisLite",
    "withr",
    "zoo"
  ],
  "_vignettes": [
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      "source": "MTZ.Rmd",
      "filename": "MTZ.html",
      "title": "Read and analyse an MTZ file",
      "engine": "knitr::rmarkdown",
      "headings": [
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