{ "_id": "6a103f46acfb0bcc41c9cd0c", "Package": "nmrrr", "Type": "Package", "Title": "Binning and Visualizing NMR Spectra in Environmental Samples", "Version": "1.0.0", "Authors@R": "c(person(\"Kaizad\", \"Patel\",\nemail = \"kaizad.patel@pnnl.gov\",\nrole = c(\"aut\", \"cre\"),\ncomment = c(ORCID = \"0000-0001-6437-7809\")),\nperson(\"Allison\", \"Myers-Pigg\",\nemail = \"allison.myers-pigg@pnnl.gov\",\nrole = c(\"aut\"),\ncomment = c(ORCID = \"0000-0002-6905-6841\")),\nperson(\"Ben\", \"Bond-Lamberty\",\nemail = \"bondlamberty@pnnl.gov\",\nrole = c(\"ctb\"),\ncomment = c(ORCID = \"0000-0001-9525-4633\")),\nperson(\"Morgan\", \"Barnes\",\nemail = \"morgan.barnes@pnnl.gov\",\nrole = c(\"ctb\"),\ncomment = c(ORCID = \"0000-0001-8722-6552\")))", "Description": "A reproducible workflow for binning and visualizing NMR\n(nuclear magnetic resonance) spectra from environmental\nsamples. The 'nmrrr' package is intended for post-processing of\nNMR data, including importing, merging and, cleaning data from\nmultiple files, visualizing NMR spectra, performing\nbinning/integrations for compound classes, and relative\nabundance calculations. This package can be easily inserted\ninto existing analysis workflows by users to help with\nanalyzing and interpreting NMR data.", "URL": "https://github.com/kaizadp/nmrrr", "BugReports": "https://github.com/kaizadp/nmrrr/issues", "License": "MIT + file LICENSE", "Copyright": "Battelle Memorial Institute", "Encoding": "UTF-8", "RoxygenNote": "7.2.3", "Config/testthat/edition": "3", "LazyData": "true", "VignetteBuilder": "knitr", "Config/pak/sysreqs": "cmake make libicu-dev libuv1-dev libssl-dev\nlibx11-dev zlib1g-dev", "Repository": "https://kaizadp.r-universe.dev", "Date/Publication": "2023-08-25 23:02:50 UTC", "RemoteUrl": "https://github.com/kaizadp/nmrrr", "RemoteRef": "HEAD", "RemoteSha": "c21d8f0f7604b1bd7790959e13c09355788e3695", "NeedsCompilation": "no", "Packaged": { "Date": "2026-05-11 08:54:06 UTC", "User": "root" }, "Author": "Kaizad Patel [aut, cre] (ORCID:\n),\nAllison Myers-Pigg [aut] (ORCID:\n),\nBen Bond-Lamberty [ctb] (ORCID:\n),\nMorgan Barnes [ctb] (ORCID: )", 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(2009).", "topics": [ "bins_ss_Preston2009" ] }, { "page": "nmr_assign_bins", "title": "Assign compound classes using the chosen binset", "topics": [ "nmr_assign_bins" ] }, { "page": "nmr_import_peaks", "title": "Import and process picked peaks data", "topics": [ "nmr_import_peaks" ] }, { "page": "nmr_import_spectra", "title": "Import and process NMR spectral data", "topics": [ "nmr_import_spectra" ] }, { "page": "nmr_plot_spectra", "title": "Plot NMR spectra", "topics": [ "nmr_plot_spectra" ] }, { "page": "nmr_relabund", "title": "Compute relative abundance for each sample", "topics": [ "nmr_relabund" ] } ], "_readme": "https://github.com/kaizadp/nmrrr/raw/HEAD/README.md", "_rundeps": [ "askpass", "bit", "bit64", "boot", "cellranger", "class", "cli", "clipr", "cpp11", "crayon", "curl", "data.table", "DescTools", "dplyr", "e1071", "Exact", "expm", "farver", "forcats", "fs", "generics", "ggplot2", "gld", "glue", "gtable", "haven", "hms", "httr", "isoband", "jsonlite", "labeling", "lattice", "lifecycle", "lmom", "magrittr", "MASS", "Matrix", "mime", "mvtnorm", "openssl", "pillar", "pkgconfig", "prettyunits", "progress", "proxy", "purrr", "R6", "RColorBrewer", "Rcpp", "readr", "readxl", "rematch", "rlang", "rootSolve", "rstudioapi", "S7", "scales", "stringi", "stringr", "sys", "tibble", "tidyr", "tidyselect", "tzdb", "utf8", "vctrs", "viridisLite", "vroom", "withr" ], "_vignettes": [ { "source": "nmrrr.Rmd", "filename": "nmrrr.html", "title": "Introduction to nmrrr", "engine": "knitr::rmarkdown", "headings": [ "Example 1", "Part 0. 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