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docs: fix typos in markdown, formatting
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ethanbass committed Aug 17, 2023
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4 changes: 1 addition & 3 deletions R/chromatographR-package.R
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#' chromatographR
#'
#' chromatographR
#'
#' \tabular{ll}{ Package: \tab chromatographR\cr Type: \tab Package\cr Version:
#' \tab 0.4.5 \cr Date: \tab 2022-11-05\cr License: GPL (>= 2) }
#' \tab 0.5.3 \cr Date: \tab 2023-08-17\cr License: GPL (>= 2) }
#'
#' @name chromatographR-package
#' @aliases chromatographR-package chromatographR
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2 changes: 1 addition & 1 deletion R/correct_rt.R
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#'
#' * Wehrens, R., Carvalho, E., Fraser, P.D. 2015. Metabolite profiling in
#' LC–DAD using multivariate curve resolution: the alsace package for R. \emph{
#' Metabolomics}, \bold{11}:143-154. \doi{10.1007/s11306-014-0683-5}
#' Metabolomics}, \bold{11}:143-154. \doi{10.1007/s11306-014-0683-5}.
#'
#' @examplesIf interactive()
#' data(Sa_pr)
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16 changes: 8 additions & 8 deletions R/fit_peaks.R
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#' 1, window will be interpreted as a proportion of points to include. Otherwise,
#' the window will be the absolute number of points to include in the window.
#' (Defaults to .001).
#' @param slope_thresh Minimum threshold for peak slope. (Defaults to 0).
#' @param amp_thresh Minimum threshold for peak amplitude. (Defaults to 0).
#' @param slope_thresh Minimum threshold for peak slope. (Defaults to \code{0}).
#' @param amp_thresh Minimum threshold for peak amplitude. (Defaults to \code{0}).
#' @param bounds Logical. If TRUE, includes peak boundaries in data.frame.
#' (Defaults to TRUE).
#' (Defaults to \code{TRUE}).
#' @return If bounds == TRUE, returns a data.frame containing the center, start,
#' and end of each identified peak. Otherwise, returns a numeric vector of peak
#' centers. All locations are expressed as indices.
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#' find_peaks(Sa_pr[[1]][,"220"])
#' @seealso \code{\link{fit_peaks}}, \code{\link{get_peaks}}
#' @references O'Haver, Tom. Pragmatic Introduction to Signal Processing:
#' Applications in scientific measurement.
#' /href{https://terpconnect.umd.edu/~toh/spectrum/} (Accessed January, 2022).
#' Applications in scientific measurement. \url{https://terpconnect.umd.edu/~toh/spectrum/}
#' (Accessed January, 2022).
#' @export find_peaks
find_peaks <- function(y, smooth_type=c("gaussian", "box", "savgol", "mva","tmva","none"),
smooth_window = .001, slope_thresh = 0, amp_thresh = 0,
Expand Down Expand Up @@ -139,7 +139,7 @@ find_peaks <- function(y, smooth_type=c("gaussian", "box", "savgol", "mva","tmva
#' \item{height}{height of the peak (y)}
#' \item{area}{peak area}
#' \item{r.squared}{r-squared value for linear fit of model to data.}
#' #' \item{purity}{spectral purity of peak as assessed by \code{\link{get_purity}}.}
#' \item{purity}{spectral purity of peak as assessed by \code{\link{get_purity}}.}
#' Again, the first five elements (rt, start, end, sd and FWHM) are expressed
#' as indices, so not in terms of the real retention times. The transformation
#' to "real" time is done in function \code{get_peaks}.
Expand All @@ -154,11 +154,11 @@ find_peaks <- function(y, smooth_type=c("gaussian", "box", "savgol", "mva","tmva
#' fit_peaks(Sa_pr[[1]], lambda="220")
#' @seealso \code{\link{find_peaks}}, \code{\link{get_peaks}}
#' @references
#' Lan, K. & Jorgenson, J. W. 2001. A hybrid of exponential and gaussian
#' * Lan, K. & Jorgenson, J. W. 2001. A hybrid of exponential and gaussian
#' functions as a simple model of asymmetric chromatographic peaks. \emph{Journal of
#' Chromatography A} \bold{915}:1-13. \doi{10.1016/S0021-9673(01)00594-5}.
#'
#' Naish, P. J. & Hartwell, S. 1988. Exponentially Modified Gaussian functions - A
#' * Naish, P. J. & Hartwell, S. 1988. Exponentially Modified Gaussian functions - A
#' good model for chromatographic peaks in isocratic HPLC? \emph{Chromatographia},
#' /bold{26}: 285-296. \doi{10.1007/BF02268168}.
#' @export fit_peaks
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23 changes: 12 additions & 11 deletions R/get_peaks.R
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#' peak values to the raw data. This approach is not really statistically valid
#' but it can still be useful as a rough metric for "goodness-of-fit").
#' @author Ethan Bass
#' @note The function is adapted from the
#' @note This function is adapted from the
#' \href{https://github.com/rwehrens/alsace/blob/master/R/getAllPeaks.R}{getAllPeaks}
#' function authored by Ron Wehrens (though the underlying algorithms for peak
#' identification and peak-fitting are not the same).
#' @references
#' O'Haver, Tom. Pragmatic Introduction to Signal Processing:
#' Applications in scientific measurement.
#' /href{https://terpconnect.umd.edu/~toh/spectrum/} (Accessed January, 2022).
#'
#' Wehrens, R., Carvalho, E., Fraser, P.D. 2015. Metabolite profiling in
#' LC–DAD using multivariate curve resolution: the alsace package for R. \emph{
#' Metabolomics} \bold{11}:143-154. \doi{10.1007/s11306-014-0683-5}
#'
#' #' Lan, K. & Jorgenson, J. W. 2001. A hybrid of exponential and gaussian
#' * Lan, K. & Jorgenson, J. W. 2001. A hybrid of exponential and gaussian
#' functions as a simple model of asymmetric chromatographic peaks. \emph{Journal of
#' Chromatography A} \bold{915}:1-13. \doi{10.1016/S0021-9673(01)00594-5}.
#'
#' Naish, P. J. & Hartwell, S. 1988. Exponentially Modified Gaussian functions - A
#' * Naish, P. J. & Hartwell, S. 1988. Exponentially Modified Gaussian functions - A
#' good model for chromatographic peaks in isocratic HPLC? \emph{Chromatographia},
#' /bold{26}: 285-296. \doi{10.1007/BF02268168}.
#'
#' * O'Haver, Tom. Pragmatic Introduction to Signal Processing:
#' Applications in scientific measurement.
#' \url{https://terpconnect.umd.edu/~toh/spectrum/} (Accessed January, 2022).
#'
#' * Wehrens, R., Carvalho, E., Fraser, P.D. 2015. Metabolite profiling in
#' LC–DAD using multivariate curve resolution: the alsace package for R. \emph{
#' Metabolomics} \bold{11}:143-154. \doi{10.1007/s11306-014-0683-5}.
#'
#' @examplesIf interactive()
#' data(Sa_pr)
#' pks <- get_peaks(Sa_pr, lambdas = c('210'), sd.max=50, fit="egh")
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6 changes: 3 additions & 3 deletions R/get_peaktable.R
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#' * `args`: A vector of arguments given to \code{\link{get_peaktable}} to generate
#' the peak table.
#' @author Ethan Bass
#' @note Adapted from
#' @note This function is adapted from
#' \href{https://github.com/rwehrens/alsace/blob/master/R/getPeakTable.R}{getPeakTable}
#' function in the alsace package by Ron Wehrens.
#' @md
#' @references
#' * Broeckling, C. D., Afsar F.A., Neumann S., Ben-Hur A., and Prenni J.E. 2014.
#' RAMClust: A Novel Feature Clustering Method Enables Spectral-Matching-Based
#' Annotation for Metabolomics Data. \emph{Anal. Chem.}
#' \bold{86}:6812-6817. \doi{10.1021/ac501530d}
#' \bold{86}:6812-6817. \doi{10.1021/ac501530d}.
#' * Wehrens, R., Carvalho, E., Fraser, P.D. 2015. Metabolite profiling in
#' LC–DAD using multivariate curve resolution: the alsace package for R. \emph{
#' Metabolomics} \bold{11}:143-154. \doi{10.1007/s11306-014-0683-5}
#' Metabolomics} \bold{11}:143-154. \doi{10.1007/s11306-014-0683-5}.
#' @examplesIf interactive()
#' data(Sa_pr)
#' pks <- get_peaks(Sa_pr, lambdas = c('210'))
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3 changes: 1 addition & 2 deletions R/plot_spectrum.R
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#' @importFrom utils head tail
#' @param loc The name of the peak or retention time for which you wish to
#' extract spectral data.
#' @param peak_table The peak table (output from \code{\link{get_peaktable}}
#' function).
#' @param peak_table The peak table (output from \code{\link{get_peaktable}}).
#' @param chrom_list A list of chromatograms in matrix format (timepoints x
#' wavelengths). If no argument is provided here, the function will try to find
#' the \code{chrom_list} object used to create the provided \code{peak_table}.
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2 changes: 1 addition & 1 deletion man/chromatographR-package.Rd

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2 changes: 1 addition & 1 deletion man/correct_rt.Rd

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10 changes: 5 additions & 5 deletions man/find_peaks.Rd

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6 changes: 3 additions & 3 deletions man/fit_peaks.Rd

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22 changes: 11 additions & 11 deletions man/get_peaks.Rd

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6 changes: 3 additions & 3 deletions man/get_peaktable.Rd

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3 changes: 1 addition & 2 deletions man/plot_spectrum.Rd

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