## ----include = FALSE---------------------------------------------------------- knitr::opts_chunk$set( collapse = TRUE, comment = "#>", fig.width = 8, fig.height = 5, fig.align = "center", out.width = "85%", dpi = 150 ) ## ----eval=FALSE--------------------------------------------------------------- # remotes::install_github("marceelrf/tidyspec") ## ----warning=FALSE,message=FALSE---------------------------------------------- library(tidyspec) library(tidyverse) ## ----------------------------------------------------------------------------- CoHAspec ## ----------------------------------------------------------------------------- set_spec_wn("Wavenumber") check_wn_col() ## ----fig.cap="Static spectral plot showing all samples"----------------------- spec_smartplot(CoHAspec) ## ----ig.cap="Interactive spectral plot with line geometry"-------------------- spec_smartplotly(CoHAspec,geom = "line") ## ----fig.cap="Custom ggplot2 visualization of spectral data", fig.height=4---- CoHAspec %>% tidyr::pivot_longer(cols = -Wavenumber, names_to = "spectrums", values_to = "absorbance") %>% ggplot(aes(x = Wavenumber, y = absorbance, col = spectrums)) + geom_line() #<------ Customize your data from here ## ----------------------------------------------------------------------------- CoHAspec %>% spec_abs2trans() %>% spec_smartplot() ## ----------------------------------------------------------------------------- CoHAspec %>% spec_abs2trans() %>% spec_trans2abs() %>% spec_smartplot() ## ----------------------------------------------------------------------------- CoHAspec %>% dplyr::select(Wavenumber,CoHA100) %>% tidyspec::spec_smartplot() ## ----------------------------------------------------------------------------- CoHAspec %>% tidyspec::spec_select(CoHA100) %>% tidyspec::spec_smartplot() ## ----------------------------------------------------------------------------- CoHAspec_filt <- CoHAspec %>% tidyspec::spec_select(CoHA100) %>% dplyr::filter(Wavenumber > 1000, Wavenumber < 1950) ## ----out.width = "100%",fig.alt="With `spec_select`", fig.dpi=600------------- CoHAspec_filt <- CoHAspec %>% spec_select(CoHA100) %>% spec_filter(wn_min = 1000, wn_max = 1950) spec_smartplot(CoHAspec_filt, geom = "line") ## ----------------------------------------------------------------------------- CoHAspec_filt %>% spec_smooth_avg() %>% spec_smartplot(geom = "line") ## ----------------------------------------------------------------------------- CoHAspec_filt %>% spec_smooth_sga() %>% spec_smartplot(geom = "line") ## ----------------------------------------------------------------------------- CoHAspec_filt %>% tidyspec::spec_smooth_sga() %>% spec_diff(degree = 2) %>% tidyspec::spec_smartplot(geom = "line") ## ----out.width="100%", fig.dpi=600-------------------------------------------- CoHAspec_filt %>% spec_smooth_sga() %>% spec_blc_rollingBall(wn_min = 1030, wn_max = 1285, ws = 10, wm = 50) %>% tidyspec::spec_smartplot(geom = "line") ## ----out.width="100%", fig.dpi=600-------------------------------------------- CoHAspec_filt %>% spec_smooth_sga() %>% spec_bl_rollingBall(wn_col = "Wavenumber", wn_min = 1030, wn_max = 1285, ws = 10, wm = 50) %>% spec_smartplot() ## ----out.width="100%", fig.dpi=600-------------------------------------------- bl <- CoHAspec_filt %>% spec_smooth_sga() %>% spec_bl_rollingBall(wn_col = "Wavenumber", wn_min = 1030, wn_max = 1285, ws = 10, wm = 50) CoHAspec_filt %>% spec_smooth_sga() %>% spec_filter(wn_min = 1030, wn_max = 1285) %>% left_join(bl) %>% spec_smartplot(geom = "line") ## ----------------------------------------------------------------------------- CoHAspec_region <- CoHAspec %>% dplyr::filter(Wavenumber > 1300, Wavenumber < 1950) CoHAspec_region %>% spec_smartplot(geom = "line") ## ----------------------------------------------------------------------------- CoHAspec_region %>% spec_norm_01() %>% spec_smartplot(geom = "line") ## ----------------------------------------------------------------------------- CoHAspec_region %>% spec_norm_minmax(min = 1, max = 2) %>% spec_smartplot(geom = "line") ## ----------------------------------------------------------------------------- CoHAspec_region %>% spec_norm_var() %>% spec_smartplot(geom = "line") ## ----------------------------------------------------------------------------- dados_1030_1285 <- CoHAspec_filt %>% tidyspec::spec_smooth_sga() %>% dplyr::filter(Wavenumber <= 1285, Wavenumber >= 1030) ## ----------------------------------------------------------------------------- params <- tidyr::crossing(ws_val = c(2,4,6,8,10,12), wm_val = c(10, 25, 40, 50)) params ## ----------------------------------------------------------------------------- df <- params %>% dplyr::mutate(spectra = list(dados_1030_1285)) %>% dplyr::mutate(spectra_blc = purrr::pmap(list(spectra, ws_val, wm_val), \(x, y, z ) spec_blc_rollingBall(.data = x, ws = y, wm = z))) %>% dplyr::mutate(title = paste0("ws = ", ws_val," , wm = ", wm_val )) %>% dplyr::mutate(plot = purrr::map2(spectra_blc, title, ~ spec_smartplot( .data = .x, wn_col = "Wavenumber", geom = "line") + labs(title = .y) )) ## ----------------------------------------------------------------------------- library(gridExtra) grid.arrange(grobs = df$plot[1:4], nrow = 2, ncol = 2) grid.arrange(grobs = df$plot[5:8], nrow = 2, ncol = 2) grid.arrange(grobs = df$plot[9:12], nrow = 2, ncol = 2) grid.arrange(grobs = df$plot[13:16], nrow = 2, ncol = 2) grid.arrange(grobs = df$plot[17:20], nrow = 2, ncol = 2) grid.arrange(grobs = df$plot[21:24], nrow = 2, ncol = 2)