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Ecology","sub_category":"Circular Economy and Waste","monthly_downloads":357,"total_dependent_repos":0,"total_dependent_packages":0,"readme":"# Open Specy 1.0\n\nAnalyze, Process, Identify, and Share Raman and (FT)IR Spectra\n\n\u003c!-- badges: start --\u003e\n[![CRAN version](https://www.r-pkg.org/badges/version/OpenSpecy)](https://CRAN.R-project.org/package=OpenSpecy) \n[![Project Status](https://www.repostatus.org/badges/latest/active.svg)](https://www.repostatus.org/#active)\n[![R-CMD-check](https://github.com/wincowgerDEV/OpenSpecy-package/actions/workflows/R-CMD-check.yaml/badge.svg)](https://github.com/wincowgerDEV/OpenSpecy-package/actions/workflows/R-CMD-check.yaml)\n[![Codecov test coverage](https://codecov.io/gh/wincowgerDEV/OpenSpecy-package/branch/main/graph/badge.svg)](https://app.codecov.io/gh/wincowgerDEV/OpenSpecy-package?branch=main)\n[![License: CC BY 4.0](https://img.shields.io/badge/license-CC%20BY%204.0-lightgrey.svg)](https://creativecommons.org/licenses/by/4.0/)\n[![DOI](https://img.shields.io/badge/DOI-10.1021/acs.analchem.1c00123-blue.svg)](https://doi.org/10.1021/acs.analchem.1c00123)\n[![Website](https://img.shields.io/badge/web-openspecy.org-white)](https://www.openanalysis.org/openspecy/)\n\u003c!-- badges: end --\u003e\n\nRaman and (FT)IR spectral analysis tool for \nenvironmental samples with a special focus on microplastics (Cowger et al. 2025, doi: \n[10.1021/acs.analchem.5c00962](https://doi.org/10.1021/acs.analchem.5c00962)).\nWith `read_any()`, Open Specy provides a single function for reading individual,\nbatch, or map spectral data files like .asp, .csv, .jdx, .spc, .spa, .0, and\n.zip. `process_spec()` simplifies processing spectra, including smoothing,\nbaseline correction, range restriction and flattening, intensity conversions,\nwavenumber alignment, and min-max normalization. \nSpectra can be identified in batch using an onboard reference library\nusing `match_spec()`. A Shiny app is available via `run_app()`\nor online at [https://www.openanalysis.org/openspecy/](https://www.openanalysis.org/openspecy/).\n\n## Installation\n\n**OpenSpecy** is available from CRAN and GitHub.\n\n### Install from CRAN (stable version)\n\nYou can install the latest release of **OpenSpecy** from\n[CRAN](https://CRAN.R-project.org) with:\n\n```r\ninstall.packages(\"OpenSpecy\")\n```\n\n### Install from GitHub (development version)\n\nTo install the development version of this package, paste the following code\ninto your R console (requires **devtools**):\n\n```r\nif (!require(devtools)) install.packages(\"devtools\")\ndevtools::install_github(\"wincowgerDEV/OpenSpecy-package\")\n```\n\n### Install on Web Assemply through webr (experimental), you can test here: https://webr.r-wasm.org/latest/\n```r\nlibrary(caTools)\nlibrary(data.table)\nlibrary(jsonlite)\nlibrary(yaml)\nlibrary(hyperSpec)\nlibrary(mmand)\nlibrary(plotly)\nlibrary(digest)\nlibrary(signal)\nlibrary(glmnet)\nlibrary(jpeg)\nlibrary(shiny)\nwebr::install(\"OpenSpecy\", repos = \"https://wincowger.com/OpenSpecy-package/\")\nlibrary(OpenSpecy)\n\n```\n\n## Getting started\n```r\nlibrary(OpenSpecy)\nrun_app()\n```\n\n## Simple workflow for single spectral identification\n\nSee [package vignette](https://raw.githack.com/wincowgerDEV/OpenSpecy-package/main/docs/articles/sop.html)\nfor a detailed standard operating procedure.\n\n```r\n# Fetch current spectral library from https://osf.io/x7dpz/\nget_lib(\"derivative\")\n\n# Load library into global environment\nspec_lib \u003c- load_lib(\"derivative\")\n\n# Read sample spectrum\nraman_hdpe \u003c- read_extdata(\"raman_hdpe.csv\") |\u003e \n  read_any()\n\n# Look at the spectrum\nplotly_spec(raman_hdpe)\n\n# Process the spectra and conform it to the library format\nraman_proc \u003c- raman_hdpe |\u003e\n  process_spec(conform_spec_args = list(range = spec_lib$wavenumbers), \n               smooth_intens = T, make_rel = T)\n\n# Compare raw and processed spectra\nplotly_spec(raman_hdpe, raman_proc)\n\ntop_matches \u003c- match_spec(raman_proc, library = spec_lib, na.rm = T, top_n = 5,\n                          add_library_metadata = \"sample_name\",\n                          add_object_metadata = \"col_id\")\n\n# Print the top 5 results with relevant metadata\ntop_matches[, c(\"object_id\", \"library_id\", \"match_val\", \"SpectrumType\",\n                \"SpectrumIdentity\")]\n\n# Get all metadata for the matches\nget_metadata(spec_lib, logic = top_matches$library_id)\n```\n\n## Related Packages\n### Open Specy on Python\n\nKris Heath created a Open Specy python package! \nhttps://pypi.org/project/openspi/\n\n## Citations\n\nCowger W, Steinmetz Z, Gray A, Munno K, Lynch J, Hapich H, Primpke S,\nDe Frond H, Rochman C, Herodotou O (2021). “Microplastic Spectral Classification\nNeeds an Open Source Community: Open Specy to the Rescue!”\n*Analytical Chemistry*, **93**(21), 7543–7548. doi:\n[10.1021/acs.analchem.1c00123](https://doi.org/10.1021/acs.analchem.1c00123).\n\nCowger W, Steinmetz Z, Leong N, Faltynkova A, Sherrod H (2024). “OpenSpecy: Analyze,\nProcess, Identify, and Share Raman and (FT)IR Spectra.” *R package*, **1.0.8**.\n[https://github.com/wincowgerDEV/OpenSpecy-package](https://github.com/wincowgerDEV/OpenSpecy-package).\n","funding_links":["https://github.com/sponsors/wincowgerDEV","https://github.com/sponsors/zsteinmetz"],"readme_doi_urls":["https://doi.org/10.1021/acs.analchem.1c00123","https://doi.org/10.1021/acs.analchem.5c00962"],"works":{},"citation_counts":{},"total_citations":0,"keywords_from_contributors":["spectroscopy"],"project_url":"https://ost.ecosyste.ms/api/v1/projects/158829","html_url":"https://ost.ecosyste.ms/projects/158829"}