The goal of tidyspec is to provide a friendly pipeline for spectroscopy analysis using the tidy data philosophy.
You can install the development version of tidyspec from GitHub with:
# install.packages("devtools")
devtools::install_github("marceelrf/tidyspec")
The tidyspec
package was design to enable the data analysis of
spectroscopy data (as IR, Raman, NMR) with the tidy-data format. There
are 6 families of functions in tidyspec
, all starting with spec_
:
- Transformation: Convert data from absorbance to transmittance
(
spec_abs2trans
) & from transmittance to absorbance (spec_trans2abs
). - Normalize: Normalize the data to range 0-1 (
spec_norm_01
), normalize between a custom range (spec_norm_minmax
), or normalize to have a standard deviation of one (spec_norm_var
). - Baseline correction: Correct the baseline using the the rolling
ball algorithm (
spec_blc_rollingBall
). The functionspec_bl
return the baseline vectors (spec_bl_rollingBall
). - Smooth correction: Smooth the data using the average window
(
spec_smooth_avg
) or using the Savitzky-Golay algorithm (spec_smooth_sga
). - Derivative: Create differential data from the spectra
(
spec_diff
). - Preview: Preview your data while applying changes statically
(
spec_smartplot
) or interactively (spec_smartplotly
).
This is a basic example which shows you how to solve a common problem:
library(tidyspec)
## basic example code