From 0c237f7901a3a107d928d5ae22f368b1f77661e0 Mon Sep 17 00:00:00 2001 From: Allison Horst Date: Sat, 10 Feb 2024 16:53:50 -0800 Subject: [PATCH 1/4] soil PCA in R testing --- examples/soil-metals/.gitignore | 10 ++ examples/soil-metals/README.md | 3 + .../soil-metals/docs/data/heavy-metals.xlsx | Bin 0 -> 166054 bytes .../soil-metals/docs/data/soil-metals.zip.R | 85 ++++++++++ examples/soil-metals/docs/index.md | 151 ++++++++++++++++++ examples/soil-metals/package.json | 14 ++ 6 files changed, 263 insertions(+) create mode 100644 examples/soil-metals/.gitignore create mode 100644 examples/soil-metals/README.md create mode 100644 examples/soil-metals/docs/data/heavy-metals.xlsx create mode 100644 examples/soil-metals/docs/data/soil-metals.zip.R create mode 100644 examples/soil-metals/docs/index.md create mode 100644 examples/soil-metals/package.json diff --git a/examples/soil-metals/.gitignore b/examples/soil-metals/.gitignore new file mode 100644 index 000000000..611527399 --- /dev/null +++ b/examples/soil-metals/.gitignore @@ -0,0 +1,10 @@ +.DS_Store +dist/ +docs/.observablehq/cache/ +node_modules/ +yarn-error.log +yarn.lock +.Rhistory +.Rapp.history +.RData +.Ruserdata \ No newline at end of file diff --git a/examples/soil-metals/README.md b/examples/soil-metals/README.md new file mode 100644 index 000000000..510d32bb5 --- /dev/null +++ b/examples/soil-metals/README.md @@ -0,0 +1,3 @@ +# Soil heavy metal analysis + +...just trying some stuff out. \ No newline at end of file diff --git a/examples/soil-metals/docs/data/heavy-metals.xlsx b/examples/soil-metals/docs/data/heavy-metals.xlsx new file mode 100644 index 0000000000000000000000000000000000000000..be151edc1da6e18b974a51da1de902af45cd374f GIT binary patch literal 166054 zcmeFXW0YV_TSRe?M|d?Mul<`VpUMuGtSW(uA^d@EJXfw?WsK*MHB~^B zNnDet5P=W+sYbKl@LRS1~V%5 z>rD>EBc=S0cRO7U2kW#elA#g#^LjVyOie?HKs zN%xbvYjn2EAFdg%b39_oE6?2jKa`~C(7ko*5&wNaUl@Zsl;)DIM)ez2-zZ)E8} 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zO6Y$RE&)rhk&C&VD=W+0_D?~DLa50F5Re6@J^GvADDv+S^)J~wbJ^6<(f00t|6@CH z$C8?L}MCzpgkF#k;y0vX2mE$r&%WoPdC zPdEORu!ZjKj!A$CMDRCJdvFM5gsYW_i@BMm8<-fD|JVZlS0?;+ASnU*pXzTdWCOGC z@2g;UBx=d7qm{Ht4)4(4T*Qm^tLX8+5ZWw>M|~y=DKWdlIzgP;C3hD{=wT z{C|5zzuWr9E0XKl7volkhm_pI{_X$#b(d~*e>V90=Kk@r{`8{$YGu(2{*TN0tBd}8 z)_*q*|7rsQQF{ds`O{GRQ~K|V@4rhk1^k=ze=o& + clean_names() |> + slice(-1) |> + select(-c(3, 4, 5, 14, 15, 16, 19:49)) |> + rename( + altitude_masl = altitude_m_a_s_l + ) + +# Update column names to only metal (e.g. "aluminum") +metal_matrix <- c(sub("_.*", "", names(hm_soils)[13:35])) +colnames(hm_soils)[13:35] <- metal_matrix + +# Replace values below detection limit with LOD / 2: +detect_function <- function(vec) { + ifelse(str_detect(vec, "<"), + as.numeric(str_replace(vec, "<", "")) / 2, + as.numeric(vec) + ) +} + +hm_clean <- hm_soils |> + mutate(across(13:35, detect_function)) + +# Principal component analysis +pca_metals <- c("aluminum", "arsenic", "barium", "calcium", "chromium", "cobalt", "copper", "iron", "magnesium", "lead", "potassium", "vanadium") + +# Subset with location and sampling information, and metals above (complete) +soil_subset <- hm_clean |> + select(1:12, all_of(pca_metals)) |> + drop_na() + +# Only metal variables for PCA +pca_subset <- soil_subset |> + select(-(1:12)) + +# PCA: +soil_pca <- prcomp(pca_subset, scale = TRUE) + +# PCA results + +# Loadings +var_loadings <- as.data.frame(soil_pca$rotation) |> + tibble::rownames_to_column(var = "metal") + +# Variance explained +var_exp <- data.frame( + pc = names(var_loadings[2:length(var_loadings)]), + variance = soil_pca$sdev^2 / sum(soil_pca$sdev^2) +) + +# Scores +obs_scores <- data.frame(soil_subset, soil_pca$x) + +# Scaled loadings (as in factoextra) +scaling <- min( + (max(obs_scores["PC2"]) - min(obs_scores["PC2"]) / (max(var_loadings["PC2"]) - min(var_loadings["PC2"]))), + (max(obs_scores["PC1"]) - min(obs_scores["PC1"]) / (max(var_loadings["PC1"]) - min(var_loadings["PC1"]))) +) + +# Note: factoextra uses 0.7 * scaling +var_loadings_scaled <- var_loadings |> + mutate( + PC1_scale = 1.2 * scaling * PC1, + PC2_scale = 1.2 * scaling * PC2 + ) + +# Add to zip archive, write to stdout +setwd(tempdir()) + +write_csv(hm_clean, "soil-metals.csv") +write_csv(var_loadings_scaled, "var-loadings.csv") +write_csv(var_exp, "var-explained.csv") +write_csv(obs_scores, "obs-scores.csv") + +system("zip - -r .") diff --git a/examples/soil-metals/docs/index.md b/examples/soil-metals/docs/index.md new file mode 100644 index 000000000..b6a95b04b --- /dev/null +++ b/examples/soil-metals/docs/index.md @@ -0,0 +1,151 @@ +# Soil metals + +```js + +const soilMetals = FileAttachment("data/soil-metals/soil-metals.csv").csv({typed: true}); + +const varLoadings = FileAttachment("data/soil-metals/var-loadings.csv").csv({typed: true}); + +const varExplained = FileAttachment("data/soil-metals/var-explained.csv").csv({typed: true}); + +const obsScores = FileAttachment("data/soil-metals/obs-scores.csv").csv({typed: true}); +``` + +```js +display({soilMetals, varLoadings, varExplained, obsScores}) +``` + +```js +const pickMetal = view(Inputs.radio(varLoadings.map(d => d.metal), {label: "Pick metal:", value: "aluminum"})) +const metal = Generators.input(pickMetal); +``` + + +```js +Plot.plot({ + width: 500, + marginLeft: 100, + x: { grid: true }, + y: { grid: true, label: "District", tickSize: 0 }, + marks: [ + Plot.boxX(soilMetals, { + x: pickMetal, + y: "district", + fill: "gray", + opacity: 0.3, + stroke: null + }), + Plot.dot(soilMetals, { + x: pickMetal, + y: "district", + fill: "darkgray", + opacity: 0.7 + }), + Plot.tickX( + soilMetals, + Plot.groupY( + { x: "median" }, + { + x: pickMetal, + y: "district", + stroke: "black", + strokeWidth: 2, + sort: { y: "x", reverse: true } + } + ) + ) + ] +}) +``` + +```js +const pickDistrict = Inputs.checkbox( + soilMetals.map((d) => d.district), + { + label: "Highlight district(s):", + unique: true, + value: ["Algarrobal", "Carumas", "Chojata", "Coalaque"], + sort: true + } +); + +const inputDistrict = Generators.input(pickDistrict); +``` + + +```js +function biplot(width, height) { +return Plot.plot({ + width, + x: {inset: 20, ticks: 5, axis: null}, + y: {inset: 20, ticks: 5, axis: null}, + marks: [ + Plot.dot(obsScores, { + x: "PC1", + y: "PC2", + fill: "#BCBCBC", + r: 2.5 + }), + Plot.hull(obsScores, { + x: "PC1", + y: "PC2", + fill: d => inputDistrict.includes(d.district) ? d.district : null, + opacity: 0.1 + }), + Plot.hull(obsScores, { + x: "PC1", + y: "PC2", + stroke: d => inputDistrict.includes(d.district) ? d.district : null, + strokeWidth: 2 + }), + Plot.dot(obsScores, { + x: "PC1", + y: "PC2", + filter: d => inputDistrict.includes(d.district), + fill: "district", + r: 3, + opacity: 0.8 + }), + Plot.arrow(varLoadings, { x1: 0, y1: 0, x2: "PC1_scale", y2: "PC2_scale" }) + ] +}); +} +``` + +```js +function screeplot(width, height) { +return Plot.plot({ + width, + height: height - 20, + x: {label: null, ticks: 3}, + y: {label: "Variance explained (%)", + percent: true, + grid: true, + ticks: 6}, + marks: [ + Plot.barY(varExplained, { + x: "pc", + y: "variance", + fill: "gray", + sort: { x: "y", reverse: true } + }) + ] +}); +} +``` + +

+
+

PCA biplot

+ ${pickDistrict} + ${resize((width, height) => biplot(width, height))} +
+
+

Screeplot

+ ${resize((width, height) => screeplot(width, height))} +
+
+ +
+ ${Inputs.table(varLoadings.map(({PC1_scale, PC2_scale, ...rest}) => rest))} +
diff --git a/examples/soil-metals/package.json b/examples/soil-metals/package.json new file mode 100644 index 000000000..6e3619044 --- /dev/null +++ b/examples/soil-metals/package.json @@ -0,0 +1,14 @@ +{ + "type": "module", + "scripts": { + "dev": "observable preview", + "build": "rm -rf dist && observable build", + "postinstall": "ln -sf ../../../../bin/observable-init.js node_modules/.bin/observable" + }, + "dependencies": { + "@observablehq/framework": "link:../.." + }, + "engines": { + "node": ">=20.6" + } +} From 652dd69289ca122354db2bbc37c2234f0e1b9de9 Mon Sep 17 00:00:00 2001 From: Allison Horst Date: Sat, 10 Feb 2024 18:55:45 -0800 Subject: [PATCH 2/4] update soil metals dashboard --- .../soil-metals/docs/data/soil-metals.zip.R | 4 +- examples/soil-metals/docs/index.md | 81 ++++++++++++------- 2 files changed, 54 insertions(+), 31 deletions(-) diff --git a/examples/soil-metals/docs/data/soil-metals.zip.R b/examples/soil-metals/docs/data/soil-metals.zip.R index 9e7f3b068..dc85b055c 100644 --- a/examples/soil-metals/docs/data/soil-metals.zip.R +++ b/examples/soil-metals/docs/data/soil-metals.zip.R @@ -70,8 +70,8 @@ scaling <- min( # Note: factoextra uses 0.7 * scaling var_loadings_scaled <- var_loadings |> mutate( - PC1_scale = 1.2 * scaling * PC1, - PC2_scale = 1.2 * scaling * PC2 + PC1_scale = 0.7 * scaling * PC1, + PC2_scale = 0.7 * scaling * PC2 ) # Add to zip archive, write to stdout diff --git a/examples/soil-metals/docs/index.md b/examples/soil-metals/docs/index.md index b6a95b04b..a3d98e280 100644 --- a/examples/soil-metals/docs/index.md +++ b/examples/soil-metals/docs/index.md @@ -1,4 +1,5 @@ -# Soil metals +# Soil metals analysis +## In mining regions across Moquegua, Peru ```js @@ -12,31 +13,29 @@ const obsScores = FileAttachment("data/soil-metals/obs-scores.csv").csv({typed: ``` ```js -display({soilMetals, varLoadings, varExplained, obsScores}) -``` - -```js -const pickMetal = view(Inputs.radio(varLoadings.map(d => d.metal), {label: "Pick metal:", value: "aluminum"})) +const pickMetal = Inputs.radio(varLoadings.map(d => d.metal), {label: "Pick metal:", value: "aluminum"}); const metal = Generators.input(pickMetal); ``` ```js -Plot.plot({ - width: 500, +function boxPlot(width, height) { +return Plot.plot({ + width, + height: height - 100, marginLeft: 100, - x: { grid: true }, + x: { grid: true, label: "Soil concentration (mg/kg)"}, y: { grid: true, label: "District", tickSize: 0 }, marks: [ Plot.boxX(soilMetals, { - x: pickMetal, + x: metal, y: "district", fill: "gray", opacity: 0.3, stroke: null }), Plot.dot(soilMetals, { - x: pickMetal, + x: metal, y: "district", fill: "darkgray", opacity: 0.7 @@ -46,16 +45,17 @@ Plot.plot({ Plot.groupY( { x: "median" }, { - x: pickMetal, + x: metal, y: "district", - stroke: "black", - strokeWidth: 2, + stroke: "#ff725c", + strokeWidth: 4, sort: { y: "x", reverse: true } } ) ) ] -}) +}); +} ``` ```js @@ -77,20 +77,23 @@ const inputDistrict = Generators.input(pickDistrict); function biplot(width, height) { return Plot.plot({ width, - x: {inset: 20, ticks: 5, axis: null}, - y: {inset: 20, ticks: 5, axis: null}, + height: height - 120, + x: {inset: 20, ticks: 0, label: "PC1"}, + y: {inset: 20, ticks: 0, label: "PC2"}, marks: [ + Plot.frame({stroke: "#BCBCBC"}), Plot.dot(obsScores, { x: "PC1", y: "PC2", fill: "#BCBCBC", + opacity: 0.5, r: 2.5 }), Plot.hull(obsScores, { x: "PC1", y: "PC2", fill: d => inputDistrict.includes(d.district) ? d.district : null, - opacity: 0.1 + opacity: 0.4 }), Plot.hull(obsScores, { x: "PC1", @@ -106,7 +109,17 @@ return Plot.plot({ r: 3, opacity: 0.8 }), - Plot.arrow(varLoadings, { x1: 0, y1: 0, x2: "PC1_scale", y2: "PC2_scale" }) + Plot.arrow(varLoadings, { x1: 0, y1: 0, x2: "PC1_scale", y2: "PC2_scale" }), + Plot.text(varLoadings, { + text: "metal", + x: "PC1_scale", + y: "PC2_scale", + dy: -5, + dx: 30, + fill: "black", + stroke: "white", + fontSize: 11 + }) ] }); } @@ -116,12 +129,12 @@ return Plot.plot({ function screeplot(width, height) { return Plot.plot({ width, - height: height - 20, + height: height - 15, x: {label: null, ticks: 3}, - y: {label: "Variance explained (%)", - percent: true, + y: {label: "Variance explained", grid: true, - ticks: 6}, + ticks: 6, + tickFormat: d3.format(".0%")}, marks: [ Plot.barY(varExplained, { x: "pc", @@ -134,18 +147,28 @@ return Plot.plot({ } ``` -
-
-

PCA biplot

+
+
+

Principal component analysis

${pickDistrict} ${resize((width, height) => biplot(width, height))}
-
+

Screeplot

${resize((width, height) => screeplot(width, height))}
+
+ ${Inputs.table(varLoadings.map(({PC1_scale, PC2_scale, ...rest}) => rest), {height: 320})} +
-
- ${Inputs.table(varLoadings.map(({PC1_scale, PC2_scale, ...rest}) => rest))} +
+
+

Soil metal concentration by district

+

Dots are individual soil sample values; black line is the median for each district. Box is the interquartile range. All values in mg/kg.

+ ${pickMetal} + ${resize((width, height) => boxPlot(width, height))} +
+ +
Bedoya-Perales, N.S., Escobedo-Pacheco, E., Maus, D. et al. Dataset of metals and metalloids in food crops and soils sampled across the mining region of Moquegua in Peru. Sci Data 10, 483 (2023). https://doi.org/10.1038/s41597-023-02363-0
From 3545939915726b88213b47fa5f5f9f289319910c Mon Sep 17 00:00:00 2001 From: Allison Horst Date: Sat, 10 Feb 2024 19:22:42 -0800 Subject: [PATCH 3/4] adds ReadMe and minor changes --- examples/soil-metals/README.md | 16 ++++++++++++++-- examples/soil-metals/docs/data/soil-metals.zip.R | 4 +--- examples/soil-metals/docs/index.md | 4 ++-- 3 files changed, 17 insertions(+), 7 deletions(-) diff --git a/examples/soil-metals/README.md b/examples/soil-metals/README.md index 510d32bb5..83515e5d3 100644 --- a/examples/soil-metals/README.md +++ b/examples/soil-metals/README.md @@ -1,3 +1,15 @@ -# Soil heavy metal analysis +# Soil metal analysis -...just trying some stuff out. \ No newline at end of file +This is an example Observable Framework project that explores soil metal concentrations in soils from mining districts in Moquegua, Peru. + +Data source: Bedoya-Perales, N.S., Escobedo-Pacheco, E., Maus, D. et al. Dataset of metals and metalloids in food crops and soils sampled across the mining region of Moquegua in Peru. Sci Data 10, 483 (2023). https://doi.org/10.1038/s41597-023-02363-0 + +View the [live project](TODO). + +## Data loader + +A single R data loader (`soil-metals.zip.R`) reads in data from a local Excel file (`heavy-metals.xlsx`), does basic wrangling, then performs [principal component analysis](https://en.wikipedia.org/wiki/Principal_component_analysis). Multiple outputs (as CSVs) are added to a Zip archive. + +## Charts + +All charts are created as functions in `index.md` using [Observable Plot](https://observablehq.com/plot/). \ No newline at end of file diff --git a/examples/soil-metals/docs/data/soil-metals.zip.R b/examples/soil-metals/docs/data/soil-metals.zip.R index dc85b055c..715f50fdb 100644 --- a/examples/soil-metals/docs/data/soil-metals.zip.R +++ b/examples/soil-metals/docs/data/soil-metals.zip.R @@ -12,9 +12,7 @@ hm_soils <- read_xlsx("docs/data/heavy-metals.xlsx", skip = 1, na = "-") |> clean_names() |> slice(-1) |> select(-c(3, 4, 5, 14, 15, 16, 19:49)) |> - rename( - altitude_masl = altitude_m_a_s_l - ) + rename(altitude_masl = altitude_m_a_s_l) # Update column names to only metal (e.g. "aluminum") metal_matrix <- c(sub("_.*", "", names(hm_soils)[13:35])) diff --git a/examples/soil-metals/docs/index.md b/examples/soil-metals/docs/index.md index a3d98e280..1bfaddc2f 100644 --- a/examples/soil-metals/docs/index.md +++ b/examples/soil-metals/docs/index.md @@ -1,4 +1,4 @@ -# Soil metals analysis +# Soil metal analysis ## In mining regions across Moquegua, Peru ```js @@ -157,7 +157,7 @@ return Plot.plot({

Screeplot

${resize((width, height) => screeplot(width, height))}
-
+
${Inputs.table(varLoadings.map(({PC1_scale, PC2_scale, ...rest}) => rest), {height: 320})}
From 2472d34cd29e3b330fae9016eeae7d0e2a0da3b1 Mon Sep 17 00:00:00 2001 From: Allison Horst Date: Sun, 11 Feb 2024 10:22:24 -0800 Subject: [PATCH 4/4] minor chart & text updates --- examples/soil-metals/README.md | 4 ++-- examples/soil-metals/docs/index.md | 24 +++++++++++++++--------- 2 files changed, 17 insertions(+), 11 deletions(-) diff --git a/examples/soil-metals/README.md b/examples/soil-metals/README.md index 83515e5d3..e567dae76 100644 --- a/examples/soil-metals/README.md +++ b/examples/soil-metals/README.md @@ -1,6 +1,6 @@ # Soil metal analysis -This is an example Observable Framework project that explores soil metal concentrations in soils from mining districts in Moquegua, Peru. +This is an example Observable Framework project that explores soil metal concentrations in soils from mining districts in Moquegua, Peru. The purpose is to show an R data loader within a Framework project. Metals selected for [principal component analysis]((https://en.wikipedia.org/wiki/Principal_component_analysis)) are random; charts should not be interpreted as research findings. Data source: Bedoya-Perales, N.S., Escobedo-Pacheco, E., Maus, D. et al. Dataset of metals and metalloids in food crops and soils sampled across the mining region of Moquegua in Peru. Sci Data 10, 483 (2023). https://doi.org/10.1038/s41597-023-02363-0 @@ -8,7 +8,7 @@ View the [live project](TODO). ## Data loader -A single R data loader (`soil-metals.zip.R`) reads in data from a local Excel file (`heavy-metals.xlsx`), does basic wrangling, then performs [principal component analysis](https://en.wikipedia.org/wiki/Principal_component_analysis). Multiple outputs (as CSVs) are added to a Zip archive. +A single R data loader (`soil-metals.zip.R`) reads in data from a local Excel file (`heavy-metals.xlsx`), does basic wrangling, then performs principal component analysis. Multiple outputs (as CSVs) are added to a Zip archive. ## Charts diff --git a/examples/soil-metals/docs/index.md b/examples/soil-metals/docs/index.md index 1bfaddc2f..30e65ab7b 100644 --- a/examples/soil-metals/docs/index.md +++ b/examples/soil-metals/docs/index.md @@ -78,8 +78,8 @@ function biplot(width, height) { return Plot.plot({ width, height: height - 120, - x: {inset: 20, ticks: 0, label: "PC1"}, - y: {inset: 20, ticks: 0, label: "PC2"}, + x: {label: `PC1 (${d3.format(".1%")(varExplained.map(d => d.variance)[0])})`, ticks: 6}, + y: {label: `PC1 (${d3.format(".1%")(varExplained.map(d => d.variance)[1])})`, ticks: 6}, marks: [ Plot.frame({stroke: "#BCBCBC"}), Plot.dot(obsScores, { @@ -128,19 +128,24 @@ return Plot.plot({ ```js function screeplot(width, height) { return Plot.plot({ + marginTop: 15, width, - height: height - 15, - x: {label: null, ticks: 3}, - y: {label: "Variance explained", - grid: true, - ticks: 6, - tickFormat: d3.format(".0%")}, + height, + x: {label: null}, + y: {axis: null}, marks: [ Plot.barY(varExplained, { x: "pc", y: "variance", fill: "gray", sort: { x: "y", reverse: true } + }), + Plot.ruleY([0]), + Plot.text(varExplained, { + text: (d) => d3.format(".1%")(d.variance), + x: "pc", + y: "variance", + dy: -8 }) ] }); @@ -150,11 +155,12 @@ return Plot.plot({

Principal component analysis

+

Axis scales are for observation scores. See table for loading values.

${pickDistrict} ${resize((width, height) => biplot(width, height))}
-

Screeplot

+

Variance explained

${resize((width, height) => screeplot(width, height))}