From 48ec7535e6060b6a3cd8e9b52c3b8974ee010031 Mon Sep 17 00:00:00 2001 From: Philipp Baumann Date: Sun, 26 Jul 2020 19:28:24 +0200 Subject: [PATCH] Separate short descrition and main features --- README.md | 10 +++++++--- 1 file changed, 7 insertions(+), 3 deletions(-) diff --git a/README.md b/README.md index f53b2e2..70d480c 100644 --- a/README.md +++ b/README.md @@ -6,6 +6,10 @@ [![DOI](https://zenodo.org/badge/67121732.svg)](https://zenodo.org/badge/latestdoi/67121732) +## Short description + +The simplerspec package aims to facilitate spectra and additional data handling and model development for spectroscopy applications such as infrared soil spectroscopy. Different helper functions are designed to create a data and modeling workflow. Data inputs and outputs are stored in common S3 `R` objects (`lists` and `data frames`), using in addition [`data.table`](https://rdatatable.gitlab.io/data.table/) and [`tibble`](https://tibble.tidyverse.org/index.html) extensions. The functions are built to work in a pipeline and cover commonly used procedures for spectral model development and application. + ## Installation The newest version of the package is available on this GitHub repository. Note that the package is still under development. If you find bugs you are highly welcome to report issues (write me an [email](mailto:philipp.baumann@usys.ethz.ch) or create an [issue](https://github.com/philipp-baumann/simplerspec/issues)). You can install `simplerspec` using the remotes package. @@ -15,9 +19,9 @@ if (!require("remotes")) install.packages("remotes") remotes::install_github("philipp-baumann/simplerspec") ``` -## Short description +## Key features -The simplerspec package aims to facilitate spectra and additional data handling and model development for spectroscopy applications such as infrared soil spectroscopy. Different helper functions are designed to create a data and modeling workflow. Data inputs and outputs are stored in common S3 `R` objects (`lists` and `data frames`), using in addition [`data.table`](https://rdatatable.gitlab.io/data.table/) and [`tibble`](https://tibble.tidyverse.org/index.html) extensions. The following features are covered in the current version of the package: +The following features are covered in the current version of the package: 1. [`read_opus_univ()`](https://github.com/philipp-baumann/simplerspec/blob/master/R/read-opus-universal.R): Read spectra and metadata from Bruker OPUS binary files into R list 2. [`gather_spc()`](https://github.com/philipp-baumann/simplerspec/blob/master/R/gather-spc.R): Gather spectra and metadata from list into a tibble object (list-columns) @@ -41,7 +45,7 @@ available (based on Kennard-Stones sampling) ## Motivation and key concepts -The functions are built to work in a pipeline and cover commonly used procedures for spectral model development. Many R packages are available to do tasks in spectral modeling such as pre-processing of spectral data. The motivation to create this package was: +Many R packages are available to do tasks in spectral modeling such as pre-processing of spectral data. The motivation to create this package was: 1. Avoid repetition of code in model development (common source of errors). 2. Provide a reproducible data analysis workflow for FT-IR spectroscopy.