output$hs_select_for_cdr <- renderUI({
hs_all <- names(hs$val)
selected <- NULL
if ("snr" %in% hs_all) {
selected <- "snr"
} else if ("normalized" %in% hs_all) {
selected <- "normalized"
}
selectInput("hs_selector_for_cdr", "Choose target",
choices = hs_all, selected = selected)
})
# calc CDR for scrs on click of button
observeEvent(input$cdr, {
withBusyIndicatorServer("cdr", {
if (isolate(input$hs_selector_for_cdr) == "") {
shinyalert("Oops!",
"Please first load your spectra data.", type = "error")
return()
} else {
hs_cur <- hs$val[[isolate(input$hs_selector_for_cdr)]]
wavelength <- wl(hs_cur)
CDR_All <- NULL
hs_cdr <- hs_cur
spc <- hs_cur$spc
# cdr
for (i in seq_len(nrow(spc))) {
Baseline_start <- which.min(abs(wavelength - 1760))
Baseline_end <- which.min(abs(wavelength - 1960))
Baseline <- spc[i, Baseline_start:Baseline_end]
CD_start <- which.min(abs(wavelength - 2050))
CD_end <- which.min(abs(wavelength - 2300))
CH_start <- which.min(abs(wavelength - 3050))
CH_end <- which.min(abs(wavelength - 2800))
CD <- spc[i, CD_start:CD_end]
CH <- spc[i, CH_start:CH_end]
CDR <- (sum(CD) - sum(Baseline) * 1.25) /
(sum(CD) + sum(CH) - sum(Baseline) * 2.5)
if (CDR < 0) CDR <- 0
CDR_All <- rbind(CDR_All, CDR)
}
hs_cdr$CDR <- round4(CDR_All)
hs_cdr$D2O <- ifelse(CDR_All >= isolate(input$cdr_cutoff), 1, 0)
hs$val[["cdr"]] <- hs_cdr
}
})
})
observeEvent(hs$val[["cdr"]],
{
hs_cdr <- hs$val[["cdr"]]
output$cdr_table <- renderDataTable({
DT::datatable(
if (is.null(hs_cdr)) NULL else hs_cdr@data %>%
dplyr::select(!matches("spc")),
escape = FALSE, selection = "single",
extensions = list("Responsive", "Scroller"),
options = list(searchHighlight = TRUE, scrollX = TRUE)
)
})
},
ignoreNULL = FALSE
)
observeEvent(input$cdr_table_rows_selected,
{
output$after_cdr_plot <- renderPlotly({
validate(need(input$cdr_table_rows_selected, ""))
index <- input$cdr_table_rows_selected
item <- hs$val[["cdr"]][index][, , c(2050 - 250 ~ 3050 + 250)]
p <- qplotspc(item) +
xlab(TeX("\\Delta \\tilde{\\nu }/c{{m}^{-1}}")) + ylab("I / a.u.") +
geom_vline(xintercept = c(2050, 2300, 2800, 3050), color = "gray")
ggplotly(p) %>% config(mathjax = "cdn")
})
},
ignoreNULL = FALSE
)
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