Dataset QA summary

library(spant)
library(ggplot2)
knitr::opts_chunk$set(echo = FALSE)
theme_set(theme_bw())

Summary metrics

Dynamic frequency shifts range

ggplot(params$data$summary, aes(x = shift_hz_range, y = labels)) + geom_col() + 
      ylab("") + xlab("Shift range (Hz)") + scale_y_discrete(limits = rev)

Smoothed dynamic linewidths range

ggplot(params$data$summary, aes(x = lw_ppm_smo_range, y = labels)) + 
  geom_col() + ylab("") + xlab("Smoothed linewidth range (ppm)") +
  scale_y_discrete(limits = rev)

Median single shot SNR

ggplot(params$data$summary, aes(x = ss_median_spec_snr, y = labels)) + 
  geom_col() + ylab("") + xlab("Median single shot SNR") +
  scale_y_discrete(limits = rev)

Dynamic mean corrected spectral linewidths

ggplot(params$data$summary, aes(x = mean_corr_spec_lw, y = labels)) +
  geom_col() + ylab("") + xlab("Linewidth for mean corrected data (ppm)") +
  scale_y_discrete(limits = rev)

Dynamic lipid fluctuation range

ggplot(params$data$summary, aes(x = dlfr * 100, y = labels)) +
  geom_col() + ylab("") + 
  xlab("Dynamic lipid fluctuation range (% tCr intensity)") +
  scale_y_discrete(limits = rev)

Dynamic fluctuation range

ggplot(params$data$summary, aes(x = dfr * 100, y = labels)) +
  geom_col() + ylab("") + xlab("Dynamic fluctuation range (% tCr intensity)") +
  scale_y_discrete(limits = rev)

Dataset quality summary

Dataset mean single shot SNR : r round(mean(params$data$summary$ss_median_spec_snr), 1)

Dataset standard deviation single shot SNR : r round(sd(params$data$summary$ss_median_spec_snr), 1)

Dataset mean spectral linewidth : r round(mean(params$data$summary$mean_corr_spec_lw), 3)

Dataset standard deviation spectral linewidth : r round(sd(params$data$summary$mean_corr_spec_lw), 3)

if (!is.null(params$data$exclude_labels)) {
  cat("### Excluded scan labels\n")
  for (x in params$data$exclude_labels) cat("- ", x, "\n")
}


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spant documentation built on Sept. 11, 2024, 9:13 p.m.