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docs: small changes to titles and descriptions
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ethanbass committed Feb 28, 2025
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2 changes: 1 addition & 1 deletion DESCRIPTION
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Expand Up @@ -56,7 +56,7 @@ Config/reticulate: list( packages = list(list(package = "scipy"),
Encoding: UTF-8
Language: en-US
Roxygen: list(markdown = TRUE)
RoxygenNote: 7.3.2
RoxygenNote: 7.3.2.9000
Additional_repositories: https://ethanbass.github.io/drat/, https://ethanbass.r-universe.dev/
Config/testthat/edition: 3
Config/Needs/website: rmarkdown, ggplot2, dplyr
3 changes: 2 additions & 1 deletion R/attach_metadata.R
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Expand Up @@ -736,7 +736,8 @@ read_waters_metadata <- function(file){

#' Extract metadata
#'
#' Extract metadata as a data.frame from a list of chromatograms.
#' Extract metadata as a \code{data.frame} or \code{tibble} from a list of
#' chromatograms.
#'
#' @param chrom_list A list of chromatograms with attached metadata (as returned
#' by \code{read_chroms} with \code{read_metadata = TRUE}).
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4 changes: 2 additions & 2 deletions R/call_aston.R
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Expand Up @@ -16,7 +16,7 @@
#' or \code{raw}.
#' @return A chromatogram in \code{data.frame} format (retention time x wavelength).
#' @import reticulate
#' @family {external parsers}
#' @family external parsers
#' @export sp_converter

sp_converter <- function(path, format_out = c("matrix", "data.frame", "data.table"),
Expand Down Expand Up @@ -66,7 +66,7 @@ sp_converter <- function(path, format_out = c("matrix", "data.frame", "data.tabl
#' or \code{raw}.
#' @return A chromatogram in \code{data.frame} format (retention time x wavelength).
#' @import reticulate
#' @family {external parsers}
#' @family external parsers
#' @export uv_converter

uv_converter <- function(path, format_out = c("matrix","data.frame","data.table"),
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8 changes: 5 additions & 3 deletions R/call_entab.R
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@@ -1,5 +1,7 @@
#' Call Entab
#' Converts files using Entab parsers
#' Call Entab parsers
#'
#' Converts files using [Entab](https://github.com/bovee/entab) parsers.
#'
#' @param path Path to file
#' @param data_format Whether to return data in \code{wide} or \code{long} format.
#' @param format_out Class of output. Either \code{matrix}, \code{data.frame},
Expand All @@ -10,7 +12,7 @@
#' or \code{raw}.
#' @return A chromatogram in the format specified by \code{format_out}
#' (retention time x wavelength).
#' @family {external parsers}
#' @family external parsers
#' @export

call_entab <- function(path, data_format = c("wide", "long"),
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6 changes: 5 additions & 1 deletion R/call_openchrom.R
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Expand Up @@ -52,7 +52,7 @@
#' Software for the Mass Spectrometric Analysis of Chromatographic Data. \emph{
#' BMC Bioinformatics} \bold{11}, no. 1 (July 30, 2010): 405.
#' \doi{10.1186/1471-2105-11-405}.
#' @family {external parsers}
#' @family external parsers
#' @export

call_openchrom <- function(files, path_out = NULL, format_in,
Expand Down Expand Up @@ -173,6 +173,9 @@ write_openchrom_batchfile <- function(files, path_out,

#' Configure OpenChrom parser
#'
#' Configures [OpenChrom](https://lablicate.com/platform/openchrom) to use
#' command-line interface. Requires OpenChrom version prior to 0.5.0.
#'
#' @name configure_openchrom
#' @param cli Defaults to NULL. If "true", R will rewrite openchrom ini file to enable CLI.
#' If "false", R will disable CLI. If NULL, R will not modify the ini file.
Expand All @@ -183,6 +186,7 @@ write_openchrom_batchfile <- function(files, path_out,
#' indicating whether 'OpenChrom' is configured correctly. Otherwise, returns
#' the path to OpenChrom command-line application.
#' @author Ethan Bass
#' @seealso [call_openchrom]
#' @export

configure_openchrom <- function(cli = c("null", "true", "false", "status"), path = NULL){
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4 changes: 2 additions & 2 deletions R/call_rainbow.R
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@@ -1,4 +1,4 @@
#' Parse Agilent or Waters files with rainbow parser
#' Call Rainbow parsers
#'
#' Uses [rainbow](https://rainbow-api.readthedocs.io) parsers to read in Agilent (.D)
#' and Waters (.raw) files. If \code{format_in} is \code{agilent_d} or
Expand Down Expand Up @@ -27,7 +27,7 @@
#' @return Returns a (nested) list of \code{matrices} or \code{data.frames} according to
#' the value of \code{format_out}. Data is ordered according to the value of
#' \code{by}.
#' @family {external parsers}
#' @family external parsers
#' @export

call_rainbow <- function(path,
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9 changes: 2 additions & 7 deletions R/read_agilent_d.R
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@@ -1,11 +1,6 @@
#' Read files from 'ChemStation' .D directories
#'
#' Agilent \code{.ch} files come in several different varieties. This parser
#' can automatically detect and read several versions of these files from
#' 'Agilent ChemStation' and 'Agilent OpenLab', including versions \code{30} and
#' \code{130}, which are generally produced by ultraviolet detectors, as well as
#' \code{81}, \code{179}, and \code{181} which are generally produced by flame
#' ionization (FID) detectors.
#' Reads files from 'Agilent' \code{.D} directories.
#'
#' @param path Path to \code{.ch} file
#' @param what Whether to extract chromatograms (\code{chroms}), DAD data
Expand All @@ -30,7 +25,7 @@
#' Metadata can be attached to the chromatogram as \code{\link{attributes}} if
#' \code{read_metadata} is \code{TRUE}.
#' @author Ethan Bass
#' @family {'Agilent' parsers}
#' @family 'Agilent' parsers
#' @export

read_agilent_d <- function(path, what = c("chroms", "dad", "peak_table"),
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5 changes: 3 additions & 2 deletions R/read_asm.R
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@@ -1,6 +1,7 @@
#' Read Allotrope Simple Model (ASM) 2D chromatograms
#' Read 'Allotrope Simple Model' (ASM) 2D chromatograms
#'
#' A parser for reading 'Allotrope Simple Model' files into R.
#' A parser for reading ['Allotrope Simple Model'](https://www.allotrope.org/asm)
#' files.
#'
#' @param path Path to ASM \code{.json} file.
#' @param format_out Matrix or data.frame.
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4 changes: 2 additions & 2 deletions R/read_cdf.R
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@@ -1,6 +1,6 @@
#' Read CDF file
#' Read CDF
#'
#' Parser for Analytical Data Interchange (ANDI) netCDF files.
#' Reads 'Analytical Data Interchange' (ANDI) netCDF (\code{.cdf}) files.
#'
#' @param path Path to ANDI netCDF file.
#' @param format_out Class of output. Either \code{matrix}, \code{data.frame},
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18 changes: 13 additions & 5 deletions R/read_chemstation_ch.R
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@@ -1,6 +1,8 @@
#' Read 'ChemStation' CH files
#' Read 'Agilent ChemStation' CH files
#'
#' Agilent \code{.ch} files come in several different varieties. This parser
#' Reads 'Agilent ChemStation' \code{.ch} files.
#'
#' Agilent \code{.ch} files come in several different formats. This parser
#' can automatically detect and read several versions of these files from
#' 'Agilent ChemStation' and 'Agilent OpenLab', including versions \code{30} and
#' \code{130}, which are generally produced by ultraviolet detectors, as well as
Expand Down Expand Up @@ -30,7 +32,7 @@
#' @note This function was adapted from the
#' \href{https://github.com/chemplexity/chromatography}{Chromatography Toolbox}
#' (&copy James Dillon 2014).
#' @family {'Agilent' parsers}
#' @family 'Agilent' parsers
#' @export
#' @md

Expand Down Expand Up @@ -454,7 +456,13 @@ get_agilent_offsets <- function(version){
offsets
}

#' Parser for reading Agilent ('.dx') files into R
#' Read 'Agilent' DX files
#'
#' Reads 'Agilent' \code{.dx} files.
#'
#' This function unzips 'Agilent' \code{.dx} into a temporary directory using
#' \code{\link{unzip}} and calls \code{\link{read_chemstation_ch}}.
#'
#' @importFrom utils unzip
#' @param path Path to \code{.dx} file.
#' @param path_out Path to directory to export unzipped files.
Expand All @@ -466,7 +474,7 @@ get_agilent_offsets <- function(version){
#' @return A chromatogram in the format specified by \code{format_out}
#' (retention time x wavelength).
#' @author Ethan Bass
#' @family {'Agilent' parsers}
#' @family 'Agilent' parsers
#' @export
read_agilent_dx <- function(path, path_out = NULL,
format_out = c("matrix", "data.frame", "data.table"),
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4 changes: 2 additions & 2 deletions R/read_chemstation_csv.R
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@@ -1,6 +1,6 @@
#' Read Chemstation CSV
#'
#' Reads 'Agilent Chemstation' CSV files into R.
#' Reads 'Agilent Chemstation' \code{.csv} files.
#'
#' 'Agilent Chemstation' CSV files are encoded in UTF-16.
#'
Expand All @@ -12,7 +12,7 @@
#' @return A chromatogram in the format specified by \code{format_out}
#' (retention time x wavelength).
#' @author Ethan Bass
#' @family {'Agilent' parsers}
#' @family 'Agilent' parsers
#' @export

read_chemstation_csv <- function(path, format_out = c("matrix", "data.frame", "data.table")){
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4 changes: 2 additions & 2 deletions R/read_chemstation_ms.R
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@@ -1,6 +1,6 @@
#' Read 'Agilent ChemStation' MS file.
#'
#' Parser to read Agilent Chemstation 'MSD Spectral Files' beginning with
#' Reads 'Agilent ChemStation MSD Spectral Files' beginning with
#' \code{x01/x32/x00/x00}.
#'
#' @param path Path to \code{.ms} file
Expand Down Expand Up @@ -28,7 +28,7 @@
#' @note Many thanks to Evan Shi and Eugene Kwan for providing helpful
#' information on the structure of these files in the
#' \href{https://rainbow-api.readthedocs.io/en/latest/agilent/ms.html}{rainbow documentation}.
#' @family {'Agilent' parsers}
#' @family 'Agilent' parsers
#' @export

read_chemstation_ms <- function(path, what = c("MS1", "BPC", "TIC"),
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4 changes: 2 additions & 2 deletions R/read_chemstation_report.R
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@@ -1,4 +1,4 @@
#' Read 'Agilent ChemStation' Reports
#' Read 'Agilent ChemStation' report files.
#' @param paths Paths to 'ChemStation' report files.
#' @param data_format Format to output data. Either \code{chromatographr} or
#' \code{chemstation}.
Expand All @@ -7,7 +7,7 @@
#' @return A data.frame containing the information from the specified
#' 'ChemStation' report.
#' @author Ethan Bass
#' @family {'Agilent' parsers}
#' @family 'Agilent' parsers
#' @export

read_chemstation_reports <- function(paths, data_format = c("chromatographr",
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6 changes: 3 additions & 3 deletions R/read_chemstation_uv.R
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@@ -1,6 +1,6 @@
#' Read 'ChemStation' DAD files
#' Read 'Agilent ChemStation' DAD files
#'
#' Agilent \code{.uv} files come in several different varieties. This parser can
#' Agilent \code{.uv} files come in several different formats. This parser can
#' automatically detect and read several versions of these files from
#' 'Agilent ChemStation' and 'Agilent OpenLab', including versions \code{31} and
#' \code{131}.
Expand All @@ -27,7 +27,7 @@
#' @note This function was adapted from the parser in the rainbow project
#' licensed under GPL 3 by Evan Shi
#' \url{https://rainbow-api.readthedocs.io/en/latest/agilent/uv.html}.
#' @family {'Agilent' parsers}
#' @family 'Agilent' parsers
#' @export

read_chemstation_uv <- function(path, format_out = c("matrix", "data.frame",
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4 changes: 2 additions & 2 deletions R/read_chromeleon.R
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@@ -1,7 +1,7 @@

#' Chromeleon ASCII reader
#' Read 'Chromeleon' ASCII files
#'
#' Reads 'Thermo Fisher Chromeleon™ CDS' files into R.
#' Reads 'Thermo Fisher Chromeleon™ CDS' ASCII (\code{.txt}) files.
#'
#' @importFrom utils tail read.csv
#' @param path Path to file
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5 changes: 4 additions & 1 deletion R/read_mdf.R
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@@ -1,4 +1,7 @@
#' Read 'Lumex' MDF files into R
#' Read 'Lumex' MDF
#'
#' Reads 'Lumex' \code{.mdf} files.
#'
#' @param path The path to a 'Lumex' \code{.mdf} file.
#' @param format_out Class of output. Either \code{matrix}, \code{data.frame},
#' or \code{data.table}.
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2 changes: 1 addition & 1 deletion R/read_mzml.R
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@@ -1,4 +1,4 @@
#' Extract data from mzML files
#' Read mzML files
#'
#' Extracts data from \code{mzML} files using parsers from either RaMS or mzR.
#' The RaMS parser (default) will only return data in tidy (long) format. The
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6 changes: 3 additions & 3 deletions R/read_shimadzu_ascii.R
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@@ -1,6 +1,6 @@
#' Shimadzu ascii reader
#' Read 'Shimadzu' ASCII
#'
#' Reads 'Shimadzu' ascii files into R. These files can be exported from
#' Reads 'Shimadzu' ASCII (\code{.txt}) files. These files can be exported from
#' 'Shimadzu LabSolutions' by right clicking on samples in the sample list and
#' selecting \code{File Conversion:Convert to ASCII}.
#'
Expand Down Expand Up @@ -31,7 +31,7 @@
#' the value of \code{what}. Chromatograms are returned in the format specified
#' by \code{format_out} (retention time x wavelength).
#' @author Ethan Bass
#' @family {'Shimadzu' parsers}
#' @family 'Shimadzu' parsers
#' @export

read_shimadzu <- function(path, what = "chroms",
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6 changes: 3 additions & 3 deletions R/read_shimadzu_gcd.R
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@@ -1,6 +1,6 @@
#' Shimadzu GCD parser
#' Read 'Shimadzu' GCD
#'
#' Read chromatogram data streams from 'Shimadzu' GCD files.
#' Read chromatogram data streams from 'Shimadzu' \code{.gcd} files.
#'
#' A parser to read chromatogram data streams from 'Shimadzu' \code{.gcd} files.
#' GCD files are encoded as 'Microsoft' OLE documents. The parser relies on the
Expand Down Expand Up @@ -39,7 +39,7 @@
#' according to the value of \code{data_format}.
#' @note This parser is experimental and may still need some work. It is not
#' yet able to interpret much metadata from the files.
#' @family {'Shimadzu' parsers}
#' @family 'Shimadzu' parsers
#' @export

read_shimadzu_gcd <- function(path, what = "chroms",
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18 changes: 9 additions & 9 deletions R/read_shimadzu_lcd.R
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@@ -1,6 +1,6 @@
#' Shimadzu LCD parser
#' Read 'Shimadzu' LCD
#'
#' Read 3D PDA or 2D chromatogram streams from 'Shimadzu' LCD files.
#' Read 3D PDA or 2D chromatogram streams from 'Shimadzu' \code{.lcd} files.
#'
#' A parser to read data from 'Shimadzu' \code{.lcd} files. LCD files are
#' encoded as 'Microsoft' OLE documents. The parser relies on the
Expand Down Expand Up @@ -57,7 +57,7 @@
#' \code{read_metadata} is \code{TRUE}.
#' @note My parsing of the date-time format seems to be a little off, since
#' the acquisition times diverge slightly from the ASCII file.
#' @family {'Shimadzu' parsers}
#' @family 'Shimadzu' parsers
#' @export

read_shimadzu_lcd <- function(path, what, format_out = c("matrix", "data.frame",
Expand Down Expand Up @@ -118,9 +118,9 @@ read_shimadzu_lcd <- function(path, what, format_out = c("matrix", "data.frame",
dat
}

#' Shimadzu LCD 3D parser
#' Read 'Shimadzu' LCD 3D data
#'
#' Read 3D PDA data stream from 'Shimadzu' LCD files.
#' Reads 3D PDA data stream from 'Shimadzu' \code{.lcd} files.
#'
#' A parser to read PDA data from 'Shimadzu' \code{.lcd} files. LCD files are
#' encoded as 'Microsoft' OLE documents. The parser relies on the
Expand Down Expand Up @@ -161,7 +161,7 @@ read_shimadzu_lcd <- function(path, what, format_out = c("matrix", "data.frame",
#' \code{data.frame} format, according to the value of \code{format_out}.
#' The chromatograms will be returned in \code{wide} or \code{long} format
#' according to the value of \code{data_format}.
#' @family {'Shimadzu' parsers}
#' @family 'Shimadzu' parsers
#' @export

read_sz_lcd_3d <- function(path, format_out = "matrix",
Expand Down Expand Up @@ -209,9 +209,9 @@ read_sz_lcd_3d <- function(path, format_out = "matrix",
dat
}

#' Shimadzu LCD 2D parser
#' Read 'Shimadzu' LCD 2D data
#'
#' Read 2D PDA data stream from 'Shimadzu' LCD files.
#' Reads 2D PDA data stream from 'Shimadzu' \code{.lcd} files.
#'
#' A parser to read chromatogram data streams from 'Shimadzu' \code{.lcd} files.
#' LCD files are encoded as 'Microsoft' OLE documents. The parser relies on the
Expand Down Expand Up @@ -254,7 +254,7 @@ read_sz_lcd_3d <- function(path, format_out = "matrix",
#' \code{format_out}. If multiple chromatograms are found, they will be returned
#' as a list of matrices or data.frames. The chromatograms will be returned in
#' \code{wide} or \code{long} format according to the value of \code{data_format}.
#' @family {'Shimadzu' parsers}
#' @family 'Shimadzu' parsers
#' @export

read_sz_lcd_2d <- function(path, format_out = "data.frame",
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4 changes: 2 additions & 2 deletions R/read_shimadzu_qgd.R
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@@ -1,6 +1,6 @@
#' Read 'Shimadzu' QGD
#'
#' Parser for 'Shimadzu GCMSsolution' \code{.qgd} files.
#' Reads 'Shimadzu GCMSsolution' \code{.qgd} GC-MS data files.
#'
#' The MS data is stored in the "GCMS Raw Data" storage, which contains a
#' \code{MS Raw Data} stream with MS scans, a \code{TIC Data} stream containing
Expand Down Expand Up @@ -48,7 +48,7 @@
#' attached to the chromatogram as \code{\link{attributes}} if
#' \code{read_metadata} is \code{TRUE}.
#' @author Ethan Bass
#' @family {'Shimadzu' parsers}
#' @family 'Shimadzu' parsers
#' @export

read_shimadzu_qgd <- function(path, what = c("MS1", "TIC"),
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