The same plot in 14 other libraries — Python: Altair, Bokeh, lets-plot, Matplotlib, Plotly, plotnine, Pygal, Seaborn; Julia: Makie.jl; JavaScript: Chart.js, D3.js, Apache ECharts, Highcharts, MUI X Charts. Compare all 15 side by side: NMR Spectrum (Nuclear Magnetic Resonance) in Python, R, Julia and JavaScript.
An NMR spectrum plots signal intensity versus chemical shift (in ppm) to reveal the electronic environment of atomic nuclei in a molecule. It is the primary analytical tool in organic chemistry for determining molecular structure, with peak positions indicating functional groups and splitting patterns (multiplets) revealing connectivity between neighboring atoms. The x-axis is conventionally reversed (high ppm on the left) and peaks appear as sharp signals rising from a baseline.
#' anyplot.ai
#' spectrum-nmr: NMR Spectrum (Nuclear Magnetic Resonance)
#' Library: ggplot2 3.5.1 | R 4.4.1
#' Quality: 89/100 | Created: 2026-06-03
library(ggplot2)
library(ragg)
set.seed(42)
# Theme tokens (Imprint palette, theme-adaptive chrome)
THEME <- Sys.getenv("ANYPLOT_THEME", "light")
PAGE_BG <- if (THEME == "light") "#FAF8F1" else "#1A1A17"
ELEVATED_BG <- if (THEME == "light") "#FFFDF6" else "#242420"
INK <- if (THEME == "light") "#1A1A17" else "#F0EFE8"
INK_SOFT <- if (THEME == "light") "#4A4A44" else "#B8B7B0"
INK_MUTED <- if (THEME == "light") "#6B6A63" else "#A8A79F"
IMPRINT_PALETTE <- c("#009E73", "#C475FD", "#4467A3", "#BD8233",
"#AE3030", "#2ABCCD", "#954477", "#99B314")
# Simulated 1H NMR spectrum of ethanol (CH3CH2OH) at 400 MHz
ppm <- seq(5.2, -0.5, length.out = 7000)
# J-coupling constant: 7 Hz at 400 MHz = 0.0175 ppm
J <- 0.0175
hw_sharp <- 0.004 # sharp peak half-width (ppm)
hw_broad <- 0.030 # broad OH singlet half-width (ppm)
# CH3 triplet at 1.17 ppm (3H): 1:2:1 intensity ratio
ch3_ppm <- c(1.17 - J, 1.17, 1.17 + J)
ch3_h <- c(0.55, 1.10, 0.55)
# CH2 quartet at 3.69 ppm (2H): 1:3:3:1 intensity ratio
ch2_ppm <- c(3.69 - 1.5 * J, 3.69 - 0.5 * J, 3.69 + 0.5 * J, 3.69 + 1.5 * J)
ch2_h <- c(0.22, 0.65, 0.65, 0.22)
# OH singlet at 2.60 ppm (1H, broad) + TMS reference at 0.00 ppm
intensity <- numeric(length(ppm))
for (i in seq_along(ch3_ppm)) {
intensity <- intensity + ch3_h[i] * (hw_sharp / 2)^2 / ((ppm - ch3_ppm[i])^2 + (hw_sharp / 2)^2)
}
for (i in seq_along(ch2_ppm)) {
intensity <- intensity + ch2_h[i] * (hw_sharp / 2)^2 / ((ppm - ch2_ppm[i])^2 + (hw_sharp / 2)^2)
}
intensity <- intensity + 0.35 * (hw_broad / 2)^2 / ((ppm - 2.60)^2 + (hw_broad / 2)^2)
intensity <- intensity + 0.40 * (hw_sharp / 2)^2 / ((ppm - 0.00)^2 + (hw_sharp / 2)^2)
intensity <- intensity + rnorm(length(ppm), 0, 0.003)
intensity <- pmax(intensity, 0)
df <- data.frame(ppm = ppm, intensity = intensity)
# Title length check — only shrink when > 67 chars baseline
plot_title <- "Ethanol ¹H NMR · spectrum-nmr · r · ggplot2 · anyplot.ai"
title_n <- nchar(plot_title)
title_size <- max(8, round(12 * min(1.0, 67 / title_n)))
p <- ggplot(df, aes(x = ppm, y = intensity)) +
geom_hline(yintercept = 0, color = INK_SOFT, linewidth = 0.35) +
geom_line(color = IMPRINT_PALETTE[1], linewidth = 0.65) +
annotate("label", x = 1.17, y = 1.33,
label = "CH₃ 1.17 ppm\ntriplet (3H)",
color = INK_MUTED, fill = PAGE_BG, label.size = 0,
size = 3.0, hjust = 0.5, lineheight = 0.9) +
annotate("label", x = 3.69, y = 0.87,
label = "CH₂ 3.69 ppm\nquartet (2H)",
color = INK_MUTED, fill = PAGE_BG, label.size = 0,
size = 3.0, hjust = 0.5, lineheight = 0.9) +
annotate("label", x = 2.60, y = 0.59,
label = "OH 2.60 ppm\nsinglet (1H)",
color = INK_MUTED, fill = PAGE_BG, label.size = 0,
size = 3.0, hjust = 0.5, lineheight = 0.9) +
annotate("label", x = 0.00, y = 0.64,
label = "TMS 0.00 ppm\n(reference)",
color = INK_MUTED, fill = PAGE_BG, label.size = 0,
size = 3.0, hjust = 0.5, lineheight = 0.9) +
scale_x_reverse(breaks = seq(5, 0, by = -1)) +
scale_y_continuous(
limits = c(-0.05, 1.75),
breaks = c(0, 0.5, 1.0),
expand = c(0, 0)
) +
labs(
title = plot_title,
x = "Chemical Shift (δ, ppm)",
y = "Intensity (a.u.)"
) +
theme_minimal(base_size = 8) +
theme(
plot.background = element_rect(fill = PAGE_BG, color = PAGE_BG),
panel.background = element_rect(fill = PAGE_BG, color = NA),
panel.grid.major = element_blank(),
panel.grid.minor = element_blank(),
panel.border = element_blank(),
axis.line.x = element_line(color = INK_SOFT, linewidth = 0.5),
axis.line.y = element_line(color = INK_SOFT, linewidth = 0.5),
axis.title = element_text(color = INK, size = 10),
axis.text = element_text(color = INK_SOFT, size = 8),
axis.text.y = element_text(color = INK_MUTED, size = 7),
plot.title = element_text(color = INK, size = title_size, face = "bold"),
plot.margin = margin(20, 30, 15, 20, unit = "pt")
)
ggsave(
filename = sprintf("plot-%s.png", THEME),
plot = p,
device = ragg::agg_png,
width = 8,
height = 4.5,
units = "in",
dpi = 400
)
Runnable source as JSON, for any HTTP client: https://api.anyplot.ai/specs/spectrum-nmr/ggplot2/code. Any spec id and library id listed in llms-full.txt fit the same URL shape; every URL below is complete and callable.
{
"spec_id": "spectrum-nmr",
"language": "r",
"library": "ggplot2",
"page": "https://anyplot.ai/spectrum-nmr/r/ggplot2",
"hub": "https://anyplot.ai/spectrum-nmr",
"code_json": "https://api.anyplot.ai/specs/spectrum-nmr/ggplot2/code",
"spec_json": "https://api.anyplot.ai/specs/spectrum-nmr",
"render_light_png": "https://storage.googleapis.com/anyplot-images/plots/spectrum-nmr/r/ggplot2/plot-light.png",
"render_dark_png": "https://storage.googleapis.com/anyplot-images/plots/spectrum-nmr/r/ggplot2/plot-dark.png",
"quality_score": 89.0,
"license": "MIT",
"guide": "https://anyplot.ai/llms.txt"
}Part of NMR Spectrum (Nuclear Magnetic Resonance) on anyplot.ai.