react-cheminfo 0.65.0 → 0.67.0

package/lib/ir/core/ramanBands.js

@@ -0,0 +1,83 @@
+/**
+ * Finding the bands of a Raman spectrum, with the picker infrared bands are
+ * found with.
+ *
+ * `autoPeakPicking` from `ir-spectrum` is `common-spectrum`'s, which runs
+ * `ml-gsd` over whichever variable it is pointed at — the picker
+ * `raman-spectrum` itself exports — and converts each peak to absorbance and
+ * transmittance on top. A Raman band is a maximum of intensity, so the picker is
+ * pointed at the intensity and only where each peak sits is read back: the
+ * conversion speaks two axes a Raman spectrum does not have.
+ *
+ * The strength letter follows the rule `ir-spectrum` applies to transmittance,
+ * applied to intensity: where the band's top sits between the spectrum's own
+ * lowest and highest intensity — below a third weak, below two thirds medium,
+ * strong above.
+ */
+import { autoPeakPicking } from 'ir-spectrum';
+import { xFindClosestIndex, xMinMaxValues } from 'ml-spectra-processing';
+/**
+ * The bands of a Raman spectrum, picked on its intensity.
+ * @param spectrum - The spectrum to pick from.
+ * @param intensity - Its intensity, which the bands are maxima of.
+ * @param picking - Where to pick, and how finely.
+ * @returns The bands, in the order they were found.
+ */
+export function ramanBands(spectrum, intensity, picking) {
+    const { id, wavenumber } = spectrum;
+    const picked = autoPeakPicking(measurementOf(wavenumber, intensity), {
+        ...picking,
+        yVariable: 'y',
+    });
+    const { min, max } = xMinMaxValues(intensity);
+    const bands = [];
+    for (const peak of picked) {
+        if (!Number.isFinite(peak.wavenumber))
+            continue;
+        // The peak sits on a sample, so its intensity is read off that sample.
+        const value = intensity[xFindClosestIndex(wavenumber, peak.wavenumber)];
+        if (value === undefined)
+            continue;
+        bands.push({
+            spectrumId: id,
+            wavenumber: peak.wavenumber,
+            intensity: value,
+            strength: strengthOf(value, min, max),
+        });
+    }
+    return bands;
+}
+/**
+ * How strong a band is, from where its top sits in the spectrum's range.
+ * @param value - The band's intensity.
+ * @param lowest - The spectrum's lowest intensity.
+ * @param highest - Its highest.
+ * @returns The letter a correlation table would use.
+ */
+function strengthOf(value, lowest, highest) {
+    const position = (value - lowest) / (highest - lowest);
+    if (position < WEAK_BELOW)
+        return 'w';
+    if (position < MEDIUM_BELOW)
+        return 'm';
+    return 'S';
+}
+/** Below this fraction of the spectrum's range a band is weak. */
+const WEAK_BELOW = 0.33;
+/** Below this one it is medium, and strong from here up. */
+const MEDIUM_BELOW = 0.66;
+/**
+ * The spectrum as `ir-spectrum` wants it: the shifts, and the intensity as `y`.
+ * @param shift - The Raman shifts, ascending.
+ * @param intensity - The intensity at each.
+ * @returns The measurement.
+ */
+function measurementOf(shift, intensity) {
+    return {
+        variables: {
+            x: { label: 'Raman shift', units: '1/cm', symbol: 'x', data: shift },
+            y: { label: 'Intensity', units: '', symbol: 'y', data: intensity },
+        },
+    };
+}
+//# sourceMappingURL=ramanBands.js.map

package/lib/ir/core/ramanBands.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"ramanBands.js","sourceRoot":"","sources":["../../../src/ir/core/ramanBands.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;GAeG;AAGH,OAAO,EAAE,eAAe,EAAE,MAAM,aAAa,CAAC;AAC9C,OAAO,EAAE,iBAAiB,EAAE,aAAa,EAAE,MAAM,uBAAuB,CAAC;AAUzE;;;;;;GAMG;AACH,MAAM,UAAU,UAAU,CACxB,QAAoB,EACpB,SAAuB,EACvB,OAA2B;IAE3B,MAAM,EAAE,EAAE,EAAE,UAAU,EAAE,GAAG,QAAQ,CAAC;IACpC,MAAM,MAAM,GAAG,eAAe,CAAC,aAAa,CAAC,UAAU,EAAE,SAAS,CAAC,EAAE;QACnE,GAAG,OAAO;QACV,SAAS,EAAE,GAAG;KACf,CAAC,CAAC;IACH,MAAM,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,aAAa,CAAC,SAAS,CAAC,CAAC;IAE9C,MAAM,KAAK,GAAa,EAAE,CAAC;IAC3B,KAAK,MAAM,IAAI,IAAI,MAAM,EAAE,CAAC;QAC1B,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,IAAI,CAAC,UAAU,CAAC;YAAE,SAAS;QAChD,uEAAuE;QACvE,MAAM,KAAK,GAAG,SAAS,CAAC,iBAAiB,CAAC,UAAU,EAAE,IAAI,CAAC,UAAU,CAAC,CAAC,CAAC;QACxE,IAAI,KAAK,KAAK,SAAS;YAAE,SAAS;QAClC,KAAK,CAAC,IAAI,CAAC;YACT,UAAU,EAAE,EAAE;YACd,UAAU,EAAE,IAAI,CAAC,UAAU;YAC3B,SAAS,EAAE,KAAK;YAChB,QAAQ,EAAE,UAAU,CAAC,KAAK,EAAE,GAAG,EAAE,GAAG,CAAC;SACtC,CAAC,CAAC;IACL,CAAC;IACD,OAAO,KAAK,CAAC;AACf,CAAC;AAED;;;;;;GAMG;AACH,SAAS,UAAU,CACjB,KAAa,EACb,MAAc,EACd,OAAe;IAEf,MAAM,QAAQ,GAAG,CAAC,KAAK,GAAG,MAAM,CAAC,GAAG,CAAC,OAAO,GAAG,MAAM,CAAC,CAAC;IACvD,IAAI,QAAQ,GAAG,UAAU;QAAE,OAAO,GAAG,CAAC;IACtC,IAAI,QAAQ,GAAG,YAAY;QAAE,OAAO,GAAG,CAAC;IACxC,OAAO,GAAG,CAAC;AACb,CAAC;AAED,kEAAkE;AAClE,MAAM,UAAU,GAAG,IAAI,CAAC;AAExB,4DAA4D;AAC5D,MAAM,YAAY,GAAG,IAAI,CAAC;AAE1B;;;;;GAKG;AACH,SAAS,aAAa,CACpB,KAAmB,EACnB,SAAuB;IAEvB,OAAO;QACL,SAAS,EAAE;YACT,CAAC,EAAE,EAAE,KAAK,EAAE,aAAa,EAAE,KAAK,EAAE,MAAM,EAAE,MAAM,EAAE,GAAG,EAAE,IAAI,EAAE,KAAK,EAAE;YACpE,CAAC,EAAE,EAAE,KAAK,EAAE,WAAW,EAAE,KAAK,EAAE,EAAE,EAAE,MAAM,EAAE,GAAG,EAAE,IAAI,EAAE,SAAS,EAAE;SACnE;KACF,CAAC;AACJ,CAAC"}

package/lib/ir/core/spectrumJcamp.d.ts

@@ -7,7 +7,8 @@
  * turned inside out, and a bare column of numbers leaves whoever opens it next
  * to guess which. `##YUNITS=` states it, and `ir-spectrum` reads it back and
  * derives the other axis from it, so a spectrum written here returns carrying
- * both.
+ * both. A Raman spectrum is written as its intensity, under a `##DATA TYPE=`
+ * that says it is Raman.
  *
  * The points are written as an `##PEAK TABLE=` of explicit `x y` pairs rather
  * than as a compressed `##XYDATA=` record. An XYDATA record states a first
@@ -21,8 +22,8 @@ import type { IrMode, IrSpectrum } from './irSpectrum.ts';
 export declare const JCAMP_EXTENSION = ".jdx";
 /** What a JCAMP-DX file is served as. */
 export declare const JCAMP_MIME_TYPE = "chemical/x-jcamp-dx";
-/** How the technique is named when the file that was read named nothing. */
-export declare const DEFAULT_DATA_TYPE = "INFRARED SPECTRUM";
+/** The infrared data type, written when the file that was read named none. */
+export declare const DEFAULT_DATA_TYPE: "INFRARED SPECTRUM";
 /**
  * Write one spectrum as a JCAMP-DX block.
  *
@@ -30,10 +31,13 @@ export declare const DEFAULT_DATA_TYPE = "INFRARED SPECTRUM";
  * which that was, and only otherwise the one being read. Writing what is on
  * screen instead would export a spectrum that had been through a logarithm it
  * was never measured with — and, where a band bottoms out at zero transmittance,
- * an absorbance of infinity that no reader can take back.
+ * an absorbance of infinity that no reader can take back. A spectrum carrying
+ * neither falls back on whichever axis it does carry, so a Raman spectrum is
+ * written as its intensity.
  * @param spectrum - The spectrum.
  * @param mode - The axis being read, used when the file named none.
  * @returns The block, `##TITLE=` through `##END=`.
+ * @throws {Error} When the spectrum carries no value axis at all.
  */
 export declare function irSpectrumToJcamp(spectrum: IrSpectrum, mode: IrMode): string;
 /**
@@ -51,7 +55,8 @@ export declare function irSpectrumToJcamp(spectrum: IrSpectrum, mode: IrMode): s
  * spectrum would have written.
  * @param spectra - The spectra, in the order the list holds them.
  * @param mode - The axis being read, used for a spectrum whose file named none.
- * @param title - What to call the file's own outer block.
+ * @param title - What to call the file's own outer block. Defaults to the
+ * count and the technique that reads `mode`: `2 infrared spectra`.
  * @returns The file.
  */
 export declare function irSpectraToJcamp(spectra: readonly IrSpectrum[], mode: IrMode, title?: string): string;

package/lib/ir/core/spectrumJcamp.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"spectrumJcamp.d.ts","sourceRoot":"","sources":["../../../src/ir/core/spectrumJcamp.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;;;;GAkBG;AAIH,OAAO,KAAK,EAAE,MAAM,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAG1D,uDAAuD;AACvD,eAAO,MAAM,eAAe,SAAS,CAAC;AAEtC,yCAAyC;AACzC,eAAO,MAAM,eAAe,wBAAwB,CAAC;AAErD,8EAA8E;AAC9E,eAAO,MAAM,iBAAiB,qBAAuC,CAAC;AAEtE;;;;;;;;;;;;;;GAcG;AACH,wBAAgB,iBAAiB,CAAC,QAAQ,EAAE,UAAU,EAAE,IAAI,EAAE,MAAM,GAAG,MAAM,CAU5E;AAED;;;;;;;;;;;;;;;;;;GAkBG;AACH,wBAAgB,gBAAgB,CAC9B,OAAO,EAAE,SAAS,UAAU,EAAE,EAC9B,IAAI,EAAE,MAAM,EACZ,KAAK,SAAgF,GACpF,MAAM,CAeR"}

package/lib/ir/core/spectrumJcamp.js

@@ -7,7 +7,8 @@
  * turned inside out, and a bare column of numbers leaves whoever opens it next
  * to guess which. `##YUNITS=` states it, and `ir-spectrum` reads it back and
  * derives the other axis from it, so a spectrum written here returns carrying
- * both.
+ * both. A Raman spectrum is written as its intensity, under a `##DATA TYPE=`
+ * that says it is Raman.
  *
  * The points are written as an `##PEAK TABLE=` of explicit `x y` pairs rather
  * than as a compressed `##XYDATA=` record. An XYDATA record states a first
@@ -17,12 +18,13 @@
  * Explicit pairs round trip whatever the spacing.
  */
 import { fromJSON } from 'convert-to-jcamp';
+import { IR_TECHNIQUE_RULES, irModeTechnique } from "./irTechnique.js";
 /** The extension a written spectrum is saved under. */
 export const JCAMP_EXTENSION = '.jdx';
 /** What a JCAMP-DX file is served as. */
 export const JCAMP_MIME_TYPE = 'chemical/x-jcamp-dx';
-/** How the technique is named when the file that was read named nothing. */
-export const DEFAULT_DATA_TYPE = 'INFRARED SPECTRUM';
+/** The infrared data type, written when the file that was read named none. */
+export const DEFAULT_DATA_TYPE = IR_TECHNIQUE_RULES.infrared.dataType;
 /**
  * Write one spectrum as a JCAMP-DX block.
  *
@@ -30,14 +32,20 @@ export const DEFAULT_DATA_TYPE = 'INFRARED SPECTRUM';
  * which that was, and only otherwise the one being read. Writing what is on
  * screen instead would export a spectrum that had been through a logarithm it
  * was never measured with — and, where a band bottoms out at zero transmittance,
- * an absorbance of infinity that no reader can take back.
+ * an absorbance of infinity that no reader can take back. A spectrum carrying
+ * neither falls back on whichever axis it does carry, so a Raman spectrum is
+ * written as its intensity.
  * @param spectrum - The spectrum.
  * @param mode - The axis being read, used when the file named none.
  * @returns The block, `##TITLE=` through `##END=`.
+ * @throws {Error} When the spectrum carries no value axis at all.
  */
 export function irSpectrumToJcamp(spectrum, mode) {
-    const written = spectrum.origin.recorded ?? mode;
-    const values = written === 'absorbance' ? spectrum.absorbance : spectrum.transmittance;
+    const written = writtenAxis(spectrum, mode);
+    const values = spectrum[written];
+    if (values === undefined) {
+        throw new Error(`${spectrum.name} carries no value axis to write.`);
+    }
     return fromJSON({ x: spectrum.wavenumber, y: values }, { info: infoRecords(spectrum, written), meta: metaRecords(spectrum) });
 }
 /**
@@ -55,10 +63,11 @@ export function irSpectrumToJcamp(spectrum, mode) {
  * spectrum would have written.
  * @param spectra - The spectra, in the order the list holds them.
  * @param mode - The axis being read, used for a spectrum whose file named none.
- * @param title - What to call the file's own outer block.
+ * @param title - What to call the file's own outer block. Defaults to the
+ * count and the technique that reads `mode`: `2 infrared spectra`.
  * @returns The file.
  */
-export function irSpectraToJcamp(spectra, mode, title = `${spectra.length} infrared spectra`) {
+export function irSpectraToJcamp(spectra, mode, title = `${spectra.length} ${IR_TECHNIQUE_RULES[irModeTechnique(mode)].name} spectra`) {
     const only = spectra.length === 1 ? spectra[0] : undefined;
     if (only !== undefined)
         return irSpectrumToJcamp(only, mode);
@@ -74,6 +83,32 @@ ${blocks.join('\n')}
 ##END=
 `;
 }
+/**
+ * Which axis of a spectrum is written.
+ * @param spectrum - The spectrum.
+ * @param mode - The axis being read.
+ * @returns The axis its file recorded, else the one being read, else the first
+ * it carries; `mode` when it carries none, which the caller refuses.
+ */
+function writtenAxis(spectrum, mode) {
+    const { recorded } = spectrum.origin;
+    if (recorded !== undefined && spectrum[recorded] !== undefined) {
+        return recorded;
+    }
+    if (spectrum[mode] !== undefined)
+        return mode;
+    for (const axis of WRITTEN_AXES) {
+        if (spectrum[axis] !== undefined)
+            return axis;
+    }
+    return mode;
+}
+/** The axes a spectrum may carry, in the order one is looked for. */
+const WRITTEN_AXES = [
+    'transmittance',
+    'absorbance',
+    'intensity',
+];
 /**
  * The standard records of a block: what it is called, and what its axes are.
  * @param spectrum - The spectrum.
@@ -83,16 +118,29 @@ ${blocks.join('\n')}
 function infoRecords(spectrum, written) {
     return {
         title: recordValue(spectrum.name),
-        // The technique as the file stated it, so a Raman spectrum that was opened
-        // here is not written back out claiming to be infrared.
-        dataType: technique(spectrum) ?? DEFAULT_DATA_TYPE,
+        // The technique as the file stated it, and otherwise the one the written
+        // axis belongs to, so a Raman spectrum is never written out claiming to be
+        // infrared.
+        dataType: technique(spectrum) ??
+            IR_TECHNIQUE_RULES[irModeTechnique(written)].dataType,
         xUnits: '1/CM',
-        // Spelled the way `ir-spectrum` reads it: it takes the axis to be
-        // transmittance when the label says `trans`, and to be a percentage rather
-        // than a fraction when it carries a `%`.
-        yUnits: written === 'absorbance' ? 'ABSORBANCE' : 'Transmittance (%)',
+        yUnits: Y_UNITS[written],
     };
 }
+/**
+ * What each axis is called in `##YUNITS=`.
+ *
+ * Spelled the way `ir-spectrum` reads them: it takes the axis to be
+ * transmittance when the label says `trans`, and to be a percentage rather than
+ * a fraction when it carries a `%`. A Raman intensity has no unit of its own —
+ * counts on one instrument, a fraction of the strongest band on another — so it
+ * is named, as Raman instruments write it.
+ */
+const Y_UNITS = {
+    transmittance: 'Transmittance (%)',
+    absorbance: 'ABSORBANCE',
+    intensity: 'INTENSITY',
+};
 /**
  * The `$`-prefixed records of a block: the acquisition, as the file stated it.
  *

package/lib/ir/core/spectrumJcamp.js.map

@@ -1 +1 @@
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+{"version":3,"file":"spectrumJcamp.js","sourceRoot":"","sources":["../../../src/ir/core/spectrumJcamp.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;;;;GAkBG;AAEH,OAAO,EAAE,QAAQ,EAAE,MAAM,kBAAkB,CAAC;AAG5C,OAAO,EAAE,kBAAkB,EAAE,eAAe,EAAE,MAAM,kBAAkB,CAAC;AAEvE,uDAAuD;AACvD,MAAM,CAAC,MAAM,eAAe,GAAG,MAAM,CAAC;AAEtC,yCAAyC;AACzC,MAAM,CAAC,MAAM,eAAe,GAAG,qBAAqB,CAAC;AAErD,8EAA8E;AAC9E,MAAM,CAAC,MAAM,iBAAiB,GAAG,kBAAkB,CAAC,QAAQ,CAAC,QAAQ,CAAC;AAEtE;;;;;;;;;;;;;;GAcG;AACH,MAAM,UAAU,iBAAiB,CAAC,QAAoB,EAAE,IAAY;IAClE,MAAM,OAAO,GAAG,WAAW,CAAC,QAAQ,EAAE,IAAI,CAAC,CAAC;IAC5C,MAAM,MAAM,GAAG,QAAQ,CAAC,OAAO,CAAC,CAAC;IACjC,IAAI,MAAM,KAAK,SAAS,EAAE,CAAC;QACzB,MAAM,IAAI,KAAK,CAAC,GAAG,QAAQ,CAAC,IAAI,kCAAkC,CAAC,CAAC;IACtE,CAAC;IACD,OAAO,QAAQ,CACb,EAAE,CAAC,EAAE,QAAQ,CAAC,UAAU,EAAE,CAAC,EAAE,MAAM,EAAE,EACrC,EAAE,IAAI,EAAE,WAAW,CAAC,QAAQ,EAAE,OAAO,CAAC,EAAE,IAAI,EAAE,WAAW,CAAC,QAAQ,CAAC,EAAE,CACtE,CAAC;AACJ,CAAC;AAED;;;;;;;;;;;;;;;;;;GAkBG;AACH,MAAM,UAAU,gBAAgB,CAC9B,OAA8B,EAC9B,IAAY,EACZ,KAAK,GAAG,GAAG,OAAO,CAAC,MAAM,IAAI,kBAAkB,CAAC,eAAe,CAAC,IAAI,CAAC,CAAC,CAAC,IAAI,UAAU;IAErF,MAAM,IAAI,GAAG,OAAO,CAAC,MAAM,KAAK,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IAC3D,IAAI,IAAI,KAAK,SAAS;QAAE,OAAO,iBAAiB,CAAC,IAAI,EAAE,IAAI,CAAC,CAAC;IAE7D,MAAM,MAAM,GAAa,EAAE,CAAC;IAC5B,KAAK,MAAM,QAAQ,IAAI,OAAO,EAAE,CAAC;QAC/B,MAAM,CAAC,IAAI,CAAC,iBAAiB,CAAC,QAAQ,EAAE,IAAI,CAAC,CAAC,CAAC;IACjD,CAAC;IACD,OAAO,WAAW,WAAW,CAAC,KAAK,CAAC;;;WAG3B,MAAM,CAAC,MAAM;EACtB,MAAM,CAAC,IAAI,CAAC,IAAI,CAAC;;CAElB,CAAC;AACF,CAAC;AAED;;;;;;GAMG;AACH,SAAS,WAAW,CAAC,QAAoB,EAAE,IAAY;IACrD,MAAM,EAAE,QAAQ,EAAE,GAAG,QAAQ,CAAC,MAAM,CAAC;IACrC,IAAI,QAAQ,KAAK,SAAS,IAAI,QAAQ,CAAC,QAAQ,CAAC,KAAK,SAAS,EAAE,CAAC;QAC/D,OAAO,QAAQ,CAAC;IAClB,CAAC;IACD,IAAI,QAAQ,CAAC,IAAI,CAAC,KAAK,SAAS;QAAE,OAAO,IAAI,CAAC;IAC9C,KAAK,MAAM,IAAI,IAAI,YAAY,EAAE,CAAC;QAChC,IAAI,QAAQ,CAAC,IAAI,CAAC,KAAK,SAAS;YAAE,OAAO,IAAI,CAAC;IAChD,CAAC;IACD,OAAO,IAAI,CAAC;AACd,CAAC;AAED,qEAAqE;AACrE,MAAM,YAAY,GAAsB;IACtC,eAAe;IACf,YAAY;IACZ,WAAW;CACZ,CAAC;AAEF;;;;;GAKG;AACH,SAAS,WAAW,CAClB,QAAoB,EACpB,OAAe;IAEf,OAAO;QACL,KAAK,EAAE,WAAW,CAAC,QAAQ,CAAC,IAAI,CAAC;QACjC,yEAAyE;QACzE,2EAA2E;QAC3E,YAAY;QACZ,QAAQ,EACN,SAAS,CAAC,QAAQ,CAAC;YACnB,kBAAkB,CAAC,eAAe,CAAC,OAAO,CAAC,CAAC,CAAC,QAAQ;QACvD,MAAM,EAAE,MAAM;QACd,MAAM,EAAE,OAAO,CAAC,OAAO,CAAC;KACzB,CAAC;AACJ,CAAC;AAED;;;;;;;;GAQG;AACH,MAAM,OAAO,GAA2B;IACtC,aAAa,EAAE,mBAAmB;IAClC,UAAU,EAAE,YAAY;IACxB,SAAS,EAAE,WAAW;CACvB,CAAC;AAEF;;;;;;;;;;GAUG;AACH,SAAS,WAAW,CAAC,QAAoB;IACvC,MAAM,OAAO,GAA2B,EAAE,CAAC;IAC3C,MAAM,MAAM,GAAG,QAAQ,CAAC,IAAI,EAAE,MAAM,IAAI,EAAE,CAAC;IAC3C,KAAK,MAAM,KAAK,IAAI,MAAM,EAAE,CAAC;QAC3B,IAAI,KAAK,CAAC,KAAK,KAAK,SAAS;YAAE,SAAS;QACxC,OAAO,CAAC,SAAS,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC,GAAG,WAAW,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC;IAC7D,CAAC;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAED,iEAAiE;AACjE,MAAM,SAAS,GAAG,WAAW,CAAC;AAE9B;;;;GAIG;AACH,SAAS,SAAS,CAAC,QAAoB;IACrC,KAAK,MAAM,KAAK,IAAI,QAAQ,CAAC,IAAI,EAAE,MAAM,IAAI,EAAE,EAAE,CAAC;QAChD,IAAI,KAAK,CAAC,KAAK,KAAK,SAAS;YAAE,OAAO,WAAW,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC;IACjE,CAAC;IACD,OAAO,SAAS,CAAC;AACnB,CAAC;AAED;;;;;;;;GAQG;AACH,SAAS,SAAS,CAAC,KAAa;IAC9B,OAAO,KAAK,CAAC,UAAU,CAAC,SAAS,EAAE,GAAG,CAAC,CAAC;AAC1C,CAAC;AAED;;;;;;;;;GASG;AACH,SAAS,WAAW,CAAC,KAAa;IAChC,OAAO,KAAK,CAAC,UAAU,CAAC,MAAM,EAAE,GAAG,CAAC,CAAC,UAAU,CAAC,IAAI,EAAE,GAAG,CAAC,CAAC,IAAI,EAAE,CAAC;AACpE,CAAC"}

package/lib/ir/core/toIrSpectrum.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"toIrSpectrum.d.ts","sourceRoot":"","sources":["../../../src/ir/core/toIrSpectrum.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAIH,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,sBAAsB,CAAC;AAC7D,OAAO,KAAK,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAElD,yEAAyE;AACzE,MAAM,WAAW,mBAAmB;IAClC;;;OAGG;IACH,EAAE,CAAC,EAAE,MAAM,CAAC;IACZ;;;OAGG;IACH,KAAK,CAAC,EAAE,MAAM,CAAC;IACf;;;;OAIG;IACH,KAAK,CAAC,EAAE,SAAS,MAAM,EAAE,CAAC;IAC1B;;;OAGG;IACH,IAAI,CAAC,EAAE,MAAM,CAAC;IACd;;;OAGG;IACH,OAAO,CAAC,EAAE,OAAO,CAAC;CACnB;AAED;;;;;GAKG;AACH,wBAAgB,YAAY,CAC1B,MAAM,EAAE,gBAAgB,EACxB,OAAO,GAAE,mBAAwB,GAChC,UAAU,CAmBZ;AAED;;;;;;;;;;GAUG;AACH,wBAAgB,WAAW,CACzB,MAAM,EAAE,SAAS,gBAAgB,EAAE,EACnC,OAAO,GAAE,IAAI,CAAC,mBAAmB,EAAE,OAAO,GAAG,SAAS,CAAM,GAC3D,UAAU,EAAE,CAad"}
+{"version":3,"file":"toIrSpectrum.d.ts","sourceRoot":"","sources":["../../../src/ir/core/toIrSpectrum.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAIH,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,sBAAsB,CAAC;AAC7D,OAAO,KAAK,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAElD,yEAAyE;AACzE,MAAM,WAAW,mBAAmB;IAClC;;;OAGG;IACH,EAAE,CAAC,EAAE,MAAM,CAAC;IACZ;;;OAGG;IACH,KAAK,CAAC,EAAE,MAAM,CAAC;IACf;;;;OAIG;IACH,KAAK,CAAC,EAAE,SAAS,MAAM,EAAE,CAAC;IAC1B;;;OAGG;IACH,IAAI,CAAC,EAAE,MAAM,CAAC;IACd;;;OAGG;IACH,OAAO,CAAC,EAAE,OAAO,CAAC;CACnB;AAED;;;;;GAKG;AACH,wBAAgB,YAAY,CAC1B,MAAM,EAAE,gBAAgB,EACxB,OAAO,GAAE,mBAAwB,GAChC,UAAU,CAkBZ;AAED;;;;;;;;;;GAUG;AACH,wBAAgB,WAAW,CACzB,MAAM,EAAE,SAAS,gBAAgB,EAAE,EACnC,OAAO,GAAE,IAAI,CAAC,mBAAmB,EAAE,OAAO,GAAG,SAAS,CAAM,GAC3D,UAAU,EAAE,CAad"}

package/lib/ir/core/toIrSpectrum.js

@@ -21,8 +21,7 @@ export function toIrSpectrum(loaded, options = {}) {
         name: name ?? loaded.name ?? loaded.origin.fileName ?? 'spectrum',
         color,
         wavenumber: loaded.wavenumber,
-        absorbance: loaded.absorbance,
-        transmittance: loaded.transmittance,
+        ...valueAxes(loaded),
         meta: loaded.meta,
         origin: loaded.origin,
         visible,
@@ -53,4 +52,20 @@ export function toIrSpectra(loaded, options = {}) {
     }
     return spectra;
 }
+/**
+ * The value axes a loaded spectrum carries, and only those.
+ *
+ * An absent axis is an absent key, never a key holding `undefined`: the two
+ * read the same in a debugger and differently in every structural comparison.
+ * @param loaded - What the reader produced.
+ * @returns Its absorbance and transmittance, or its intensity.
+ */
+function valueAxes(loaded) {
+    const { absorbance, transmittance, intensity } = loaded;
+    return {
+        ...(absorbance === undefined ? {} : { absorbance }),
+        ...(transmittance === undefined ? {} : { transmittance }),
+        ...(intensity === undefined ? {} : { intensity }),
+    };
+}
 //# sourceMappingURL=toIrSpectrum.js.map

package/lib/ir/core/toIrSpectrum.js.map

@@ -1 +1 @@
-{"version":3,"file":"toIrSpectrum.js","sourceRoot":"","sources":["../../../src/ir/core/toIrSpectrum.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,EAAE,iBAAiB,EAAE,MAAM,mCAAmC,CAAC;AAmCtE;;;;;GAKG;AACH,MAAM,UAAU,YAAY,CAC1B,MAAwB,EACxB,UAA+B,EAAE;IAEjC,MAAM,EACJ,EAAE,GAAG,MAAM,CAAC,UAAU,EAAE,EACxB,KAAK,GAAG,EAAE,EACV,IAAI,EACJ,OAAO,GAAG,IAAI,GACf,GAAG,OAAO,CAAC;IACZ,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,IAAI,iBAAiB,CAAC,KAAK,CAAC,CAAC;IACxD,OAAO;QACL,EAAE;QACF,IAAI,EAAE,IAAI,IAAI,MAAM,CAAC,IAAI,IAAI,MAAM,CAAC,MAAM,CAAC,QAAQ,IAAI,UAAU;QACjE,KAAK;QACL,UAAU,EAAE,MAAM,CAAC,UAAU;QAC7B,UAAU,EAAE,MAAM,CAAC,UAAU;QAC7B,aAAa,EAAE,MAAM,CAAC,aAAa;QACnC,IAAI,EAAE,MAAM,CAAC,IAAI;QACjB,MAAM,EAAE,MAAM,CAAC,MAAM;QACrB,OAAO;KACR,CAAC;AACJ,CAAC;AAED;;;;;;;;;;GAUG;AACH,MAAM,UAAU,WAAW,CACzB,MAAmC,EACnC,UAA0D,EAAE;IAE5D,MAAM,EAAE,KAAK,GAAG,EAAE,EAAE,OAAO,EAAE,GAAG,OAAO,CAAC;IACxC,MAAM,MAAM,GAAG,CAAC,GAAG,KAAK,CAAC,CAAC;IAC1B,MAAM,OAAO,GAAiB,EAAE,CAAC;IACjC,KAAK,MAAM,KAAK,IAAI,MAAM,EAAE,CAAC;QAC3B,MAAM,QAAQ,GAAG,YAAY,CAAC,KAAK,EAAE;YACnC,KAAK,EAAE,MAAM;YACb,GAAG,CAAC,OAAO,KAAK,SAAS,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,OAAO,EAAE,CAAC;SAC9C,CAAC,CAAC;QACH,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC;QAC5B,OAAO,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;IACzB,CAAC;IACD,OAAO,OAAO,CAAC;AACjB,CAAC"}
+{"version":3,"file":"toIrSpectrum.js","sourceRoot":"","sources":["../../../src/ir/core/toIrSpectrum.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,EAAE,iBAAiB,EAAE,MAAM,mCAAmC,CAAC;AAmCtE;;;;;GAKG;AACH,MAAM,UAAU,YAAY,CAC1B,MAAwB,EACxB,UAA+B,EAAE;IAEjC,MAAM,EACJ,EAAE,GAAG,MAAM,CAAC,UAAU,EAAE,EACxB,KAAK,GAAG,EAAE,EACV,IAAI,EACJ,OAAO,GAAG,IAAI,GACf,GAAG,OAAO,CAAC;IACZ,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,IAAI,iBAAiB,CAAC,KAAK,CAAC,CAAC;IACxD,OAAO;QACL,EAAE;QACF,IAAI,EAAE,IAAI,IAAI,MAAM,CAAC,IAAI,IAAI,MAAM,CAAC,MAAM,CAAC,QAAQ,IAAI,UAAU;QACjE,KAAK;QACL,UAAU,EAAE,MAAM,CAAC,UAAU;QAC7B,GAAG,SAAS,CAAC,MAAM,CAAC;QACpB,IAAI,EAAE,MAAM,CAAC,IAAI;QACjB,MAAM,EAAE,MAAM,CAAC,MAAM;QACrB,OAAO;KACR,CAAC;AACJ,CAAC;AAED;;;;;;;;;;GAUG;AACH,MAAM,UAAU,WAAW,CACzB,MAAmC,EACnC,UAA0D,EAAE;IAE5D,MAAM,EAAE,KAAK,GAAG,EAAE,EAAE,OAAO,EAAE,GAAG,OAAO,CAAC;IACxC,MAAM,MAAM,GAAG,CAAC,GAAG,KAAK,CAAC,CAAC;IAC1B,MAAM,OAAO,GAAiB,EAAE,CAAC;IACjC,KAAK,MAAM,KAAK,IAAI,MAAM,EAAE,CAAC;QAC3B,MAAM,QAAQ,GAAG,YAAY,CAAC,KAAK,EAAE;YACnC,KAAK,EAAE,MAAM;YACb,GAAG,CAAC,OAAO,KAAK,SAAS,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,OAAO,EAAE,CAAC;SAC9C,CAAC,CAAC;QACH,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC;QAC5B,OAAO,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;IACzB,CAAC;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAED;;;;;;;GAOG;AACH,SAAS,SAAS,CAChB,MAAwB;IAExB,MAAM,EAAE,UAAU,EAAE,aAAa,EAAE,SAAS,EAAE,GAAG,MAAM,CAAC;IACxD,OAAO;QACL,GAAG,CAAC,UAAU,KAAK,SAAS,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,UAAU,EAAE,CAAC;QACnD,GAAG,CAAC,aAAa,KAAK,SAAS,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,aAAa,EAAE,CAAC;QACzD,GAAG,CAAC,SAAS,KAAK,SAAS,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,SAAS,EAAE,CAAC;KAClD,CAAC;AACJ,CAAC"}

package/lib/ir/ui/BandRow.d.ts

@@ -0,0 +1,30 @@
+import type { AssignedBand } from '../core/assignBands.ts';
+import type { IrBand } from '../core/irBand.ts';
+import type { IrMode } from '../core/irSpectrum.ts';
+export interface BandRowProps {
+    /** The band and everything it might be. */
+    entry: AssignedBand;
+    /** Which value axis is being read. */
+    mode: IrMode;
+    /** Whether the row has a column for what the band could be. */
+    assignments: boolean;
+    /** Whether the pointer is on this band, here or on the chart. */
+    lit: boolean;
+    /**
+     * Told when the pointer arrives on this row, and when it leaves.
+     * @default undefined
+     */
+    onHighlight?: (band: IrBand | null) => void;
+}
+/**
+ * One band: where it is, how strong, and every vibration it could be.
+ *
+ * The candidates are written as one line rather than a list, so a strong band
+ * with four of them stays one row of the table and the wavenumbers keep reading
+ * down the column. The `title` carries them again with each one's note, which is
+ * where the reason to prefer one lives.
+ * @param props - Component props.
+ * @returns The row.
+ */
+export declare function BandRow(props: BandRowProps): import("react").JSX.Element;
+//# sourceMappingURL=BandRow.d.ts.map

package/lib/ir/ui/BandRow.d.ts.map

@@ -0,0 +1 @@
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package/lib/ir/ui/BandRow.js

@@ -0,0 +1,42 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+import { Icon } from '@blueprintjs/core';
+import { panelCellStyle, panelNumberCellStyle, } from "../../panel/core/panelStyles.js";
+import { bandValue } from "../core/irBand.js";
+import { formatIrValue, formatWavenumber } from "../core/irFormat.js";
+/**
+ * One band: where it is, how strong, and every vibration it could be.
+ *
+ * The candidates are written as one line rather than a list, so a strong band
+ * with four of them stays one row of the table and the wavenumbers keep reading
+ * down the column. The `title` carries them again with each one's note, which is
+ * where the reason to prefer one lives.
+ * @param props - Component props.
+ * @returns The row.
+ */
+export function BandRow(props) {
+    const { entry, mode, assignments, lit, onHighlight } = props;
+    const { band } = entry;
+    return (_jsxs("tr", { style: lit ? litRowStyle : undefined, onPointerEnter: () => onHighlight?.(band), onPointerLeave: () => onHighlight?.(null), children: [_jsx("td", { style: panelNumberCellStyle, children: formatWavenumber(band.wavenumber) }), _jsx("td", { style: panelCellStyle, title: STRENGTH_TITLES[band.strength], children: band.strength }), _jsx("td", { style: panelNumberCellStyle, children: formatIrValue(bandValue(band, mode) ?? Number.NaN, mode) }), assignments ? _jsx(CandidatesCell, { entry: entry }) : null] }));
+}
+/**
+ * What a band could be: the narrowest candidate, and how many more there are.
+ * @param props - Component props.
+ * @returns The cell.
+ */
+function CandidatesCell(props) {
+    const { candidates } = props.entry;
+    const detail = candidates
+        .map((candidate) => candidate.note === undefined
+        ? `${candidate.group} ${candidate.vibration}`
+        : `${candidate.group} ${candidate.vibration} — ${candidate.note}`)
+        .join('\n');
+    return (_jsx("td", { style: panelCellStyle, title: detail, children: candidates.length === 0 ? (_jsx("span", { style: { opacity: 0.5 }, children: "\u2014" })) : (_jsxs("span", { style: { whiteSpace: 'normal' }, children: [candidates[0]?.group, " ", candidates[0]?.vibration, candidates.length > 1 ? (_jsxs("span", { style: { opacity: 0.6 }, children: [' ', _jsx(Icon, { icon: "more", size: 10 }), " ", candidates.length - 1, " more"] })) : null] })) }));
+}
+/** What each strength letter means, for the column that shows only the letter. */
+const STRENGTH_TITLES = {
+    w: 'weak, relative to this spectrum',
+    m: 'medium, relative to this spectrum',
+    S: 'strong, relative to this spectrum',
+};
+const litRowStyle = { background: '#fff3e0' };
+//# sourceMappingURL=BandRow.js.map

package/lib/ir/ui/BandRow.js.map

@@ -0,0 +1 @@
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package/lib/ir/ui/BandsPanel.d.ts

@@ -24,6 +24,10 @@ export interface BandsPanelProps {
  * Hovering a row marks the band on the chart and hovering the chart lights the
  * row, which is the whole reason the highlight is threaded through the shell
  * rather than held here: the two views are of one thing.
+ *
+ * For a technique the correlation table does not cover — Raman — the column of
+ * candidates and the button naming them are left out, and the table is the
+ * bands themselves.
  * @param props - Component props.
  * @returns The panel.
  */

package/lib/ir/ui/BandsPanel.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"BandsPanel.d.ts","sourceRoot":"","sources":["../../../src/ir/ui/BandsPanel.tsx"],"names":[],"mappings":"AAWA,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,mBAAmB,CAAC;AAShD,MAAM,WAAW,eAAe;IAC9B;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,GAAG,IAAI,CAAC;IAC1B;;;OAGG;IACH,WAAW,CAAC,EAAE,CAAC,IAAI,EAAE,MAAM,GAAG,IAAI,KAAK,IAAI,CAAC;CAC7C;AAED;;;;;;;;;;;;;;;;;;;GAmBG;AACH,wBAAgB,UAAU,CAAC,KAAK,EAAE,eAAe,+BAqHhD"}

package/lib/ir/ui/BandsPanel.js

@@ -1,10 +1,12 @@
 import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
-import { Icon } from '@blueprintjs/core';
 import { useMemo } from 'react';
 import { Button, Toolbar } from 'react-science/ui';
-import { panelBodyStyle, panelCellStyle, panelEmptyStyle, panelHeaderCellStyle, panelNumberCellStyle, panelStyle, panelTableStyle, panelToolbarStyle, } from "../../panel/core/panelStyles.js";
+import { panelBodyStyle, panelEmptyStyle, panelHeaderCellStyle, panelStyle, panelTableStyle, panelToolbarStyle, } from "../../panel/core/panelStyles.js";
 import { sameIrBand } from "../core/irBand.js";
-import { formatIrValue, formatWavenumber } from "../core/irFormat.js";
+import { shortModeLabel } from "../core/irFormat.js";
+import { IR_TECHNIQUE_RULES } from "../core/irTechnique.js";
+import { BandRow } from "./BandRow.js";
+import { bandsToTsv } from "./bandsTsv.js";
 import { useIrActions, useIrEditorState } from "./irStateContext.js";
 /**
  * Every band of the selected spectrum, and everything each one might be.
@@ -19,6 +21,10 @@ import { useIrActions, useIrEditorState } from "./irStateContext.js";
  * Hovering a row marks the band on the chart and hovering the chart lights the
  * row, which is the whole reason the highlight is threaded through the shell
  * rather than held here: the two views are of one thing.
+ *
+ * For a technique the correlation table does not cover — Raman — the column of
+ * candidates and the button naming them are left out, and the table is the
+ * bands themselves.
  * @param props - Component props.
  * @returns The panel.
  */
@@ -26,65 +32,14 @@ export function BandsPanel(props) {
     const { highlight = null, onHighlight } = props;
     const { state, selectedSpectrum, assigned } = useIrEditorState();
     const actions = useIrActions();
-    const { mode, pickBands, showAssignments, picking } = state.settings;
+    const { mode, pickBands, showAssignments, picking, technique } = state.settings;
+    const { assignments } = IR_TECHNIQUE_RULES[technique];
     const rows = useMemo(() => assigned, [assigned]);
-    const tsv = useMemo(() => bandsToTsv(rows, mode), [rows, mode]);
-    return (_jsxs("div", { style: panelStyle, children: [_jsxs("div", { style: panelToolbarStyle, children: [_jsxs(Toolbar, { "aria-label": "Band actions", children: [_jsx(Toolbar.Item, { icon: "locate", active: pickBands, tooltip: pickBands ? 'Stop picking bands' : 'Pick the bands', "aria-label": "Pick the bands", onClick: () => actions.setSettings({ pickBands: !pickBands }) }), _jsx(Toolbar.Item, { icon: "label", active: showAssignments, tooltip: "Name the assignments on the chart", "aria-label": "Name the assignments on the chart", disabled: !pickBands, onClick: () => actions.setSettings({ showAssignments: !showAssignments }) })] }), _jsxs("label", { style: thresholdStyle, children: [_jsx("span", { style: { opacity: 0.7 }, children: "threshold" }), _jsx("input", { type: "range", min: 0.005, max: 0.3, step: 0.005, value: picking.minRelativeHeight ?? 0.02, disabled: !pickBands, "aria-label": "How tall a band must be to be picked", onChange: (event) => actions.setSettings({
+    const tsv = useMemo(() => bandsToTsv(rows, mode, assignments), [rows, mode, assignments]);
+    return (_jsxs("div", { style: panelStyle, children: [_jsxs("div", { style: panelToolbarStyle, children: [_jsxs(Toolbar, { "aria-label": "Band actions", children: [_jsx(Toolbar.Item, { icon: "locate", active: pickBands, tooltip: pickBands ? 'Stop picking bands' : 'Pick the bands', "aria-label": "Pick the bands", onClick: () => actions.setSettings({ pickBands: !pickBands }) }), assignments ? (_jsx(Toolbar.Item, { icon: "label", active: showAssignments, tooltip: "Name the assignments on the chart", "aria-label": "Name the assignments on the chart", disabled: !pickBands, onClick: () => actions.setSettings({ showAssignments: !showAssignments }) })) : null] }), _jsxs("label", { style: thresholdStyle, children: [_jsx("span", { style: { opacity: 0.7 }, children: "threshold" }), _jsx("input", { type: "range", min: 0.005, max: 0.3, step: 0.005, value: picking.minRelativeHeight ?? 0.02, disabled: !pickBands, "aria-label": "How tall a band must be to be picked", onChange: (event) => actions.setSettings({
                                     picking: { minRelativeHeight: event.target.valueAsNumber },
-                                }) })] }), _jsx("span", { style: { flex: 1 } }), _jsx(Button, { variant: "minimal", icon: "clipboard", disabled: rows.length === 0, tooltipProps: { content: 'Copy the table' }, "aria-label": "Copy the table", onClick: () => void navigator.clipboard?.writeText(tsv) })] }), _jsx("div", { style: panelBodyStyle, children: selectedSpectrum === null ? (_jsx("p", { style: panelEmptyStyle, children: "No spectrum is selected." })) : !pickBands ? (_jsx("p", { style: panelEmptyStyle, children: "The bands are not being picked. Press the locate button above to find them." })) : rows.length === 0 ? (_jsx("p", { style: panelEmptyStyle, children: "No band was found above the threshold. Lower it to pick the weaker ones." })) : (_jsxs("table", { style: panelTableStyle, children: [_jsx("thead", { children: _jsxs("tr", { children: [_jsx("th", { style: panelHeaderCellStyle, children: "cm\u207B\u00B9" }), _jsx("th", { style: panelHeaderCellStyle }), _jsx("th", { style: { ...panelHeaderCellStyle, textAlign: 'right' }, children: mode === 'absorbance' ? 'A' : '%T' }), _jsx("th", { style: panelHeaderCellStyle, children: "could be" })] }) }), _jsx("tbody", { children: rows.map((entry) => (_jsx(BandRow, { entry: entry, mode: mode, lit: sameIrBand(entry.band, highlight), onHighlight: onHighlight }, `${entry.band.spectrumId} ${entry.band.wavenumber}`))) })] })) })] }));
-}
-/**
- * One band: where it is, how strong, and every vibration it could be.
- *
- * The candidates are written as one line rather than a list, so a strong band
- * with four of them stays one row of the table and the wavenumbers keep reading
- * down the column. The `title` carries them again with each one's note, which is
- * where the reason to prefer one lives.
- * @param props - Component props.
- * @returns The row.
- */
-function BandRow(props) {
-    const { entry, mode, lit, onHighlight } = props;
-    const { band, candidates } = entry;
-    const value = mode === 'absorbance' ? band.absorbance : band.transmittance;
-    const detail = candidates
-        .map((candidate) => candidate.note === undefined
-        ? `${candidate.group} ${candidate.vibration}`
-        : `${candidate.group} ${candidate.vibration} — ${candidate.note}`)
-        .join('\n');
-    return (_jsxs("tr", { style: lit ? litRowStyle : undefined, onPointerEnter: () => onHighlight?.(band), onPointerLeave: () => onHighlight?.(null), children: [_jsx("td", { style: panelNumberCellStyle, children: formatWavenumber(band.wavenumber) }), _jsx("td", { style: panelCellStyle, title: STRENGTH_TITLES[band.strength], children: band.strength }), _jsx("td", { style: panelNumberCellStyle, children: formatIrValue(value, mode) }), _jsx("td", { style: panelCellStyle, title: detail, children: candidates.length === 0 ? (_jsx("span", { style: { opacity: 0.5 }, children: "\u2014" })) : (_jsxs("span", { style: { whiteSpace: 'normal' }, children: [candidates[0]?.group, " ", candidates[0]?.vibration, candidates.length > 1 ? (_jsxs("span", { style: { opacity: 0.6 }, children: [' ', _jsx(Icon, { icon: "more", size: 10 }), " ", candidates.length - 1, " more"] })) : null] })) })] }));
-}
-/** What each strength letter means, for the column that shows only the letter. */
-const STRENGTH_TITLES = {
-    w: 'weak, relative to this spectrum',
-    m: 'medium, relative to this spectrum',
-    S: 'strong, relative to this spectrum',
-};
-/**
- * The table as text, for pasting into a notebook.
- *
- * Tab separated with every candidate on the row, because the reason to copy a
- * band table is to put it beside a structure and argue about it — and the
- * argument is over the candidates rather than over the wavenumbers.
- * @param rows - The bands, as they are shown.
- * @param mode - Which value axis is being read.
- * @returns The table, one line per band, with a heading.
- */
-function bandsToTsv(rows, mode) {
-    const heading = ['wavenumber', 'strength', mode, 'could be'].join('\t');
-    const lines = rows.map((entry) => [
-        formatWavenumber(entry.band.wavenumber),
-        entry.band.strength,
-        formatIrValue(mode === 'absorbance'
-            ? entry.band.absorbance
-            : entry.band.transmittance, mode),
-        entry.candidates
-            .map((candidate) => `${candidate.group} ${candidate.vibration}`)
-            .join('; '),
-    ].join('\t'));
-    return [heading, ...lines].join('\n');
+                                }) })] }), _jsx("span", { style: { flex: 1 } }), _jsx(Button, { variant: "minimal", icon: "clipboard", disabled: rows.length === 0, tooltipProps: { content: 'Copy the table' }, "aria-label": "Copy the table", onClick: () => void navigator.clipboard?.writeText(tsv) })] }), _jsx("div", { style: panelBodyStyle, children: selectedSpectrum === null ? (_jsx("p", { style: panelEmptyStyle, children: "No spectrum is selected." })) : !pickBands ? (_jsx("p", { style: panelEmptyStyle, children: "The bands are not being picked. Press the locate button above to find them." })) : rows.length === 0 ? (_jsx("p", { style: panelEmptyStyle, children: "No band was found above the threshold. Lower it to pick the weaker ones." })) : (_jsxs("table", { style: panelTableStyle, children: [_jsx("thead", { children: _jsxs("tr", { children: [_jsx("th", { style: panelHeaderCellStyle, children: "cm\u207B\u00B9" }), _jsx("th", { style: panelHeaderCellStyle }), _jsx("th", { style: { ...panelHeaderCellStyle, textAlign: 'right' }, children: shortModeLabel(mode) }), assignments ? (_jsx("th", { style: panelHeaderCellStyle, children: "could be" })) : null] }) }), _jsx("tbody", { children: rows.map((entry) => (_jsx(BandRow, { entry: entry, mode: mode, assignments: assignments, lit: sameIrBand(entry.band, highlight), onHighlight: onHighlight }, `${entry.band.spectrumId} ${entry.band.wavenumber}`))) })] })) })] }));
 }
-const litRowStyle = { background: '#fff3e0' };
 const thresholdStyle = {
     display: 'inline-flex',
     alignItems: 'center',

package/lib/ir/ui/BandsPanel.js.map

@@ -1 +1 @@
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package/lib/ir/ui/IrAboutDialog.d.ts

@@ -1,8 +1,15 @@
+import type { IrTechnique } from '../core/irTechnique.ts';
 export interface IrAboutDialogProps {
     /** Whether the dialog is open. */
     isOpen: boolean;
     /** Close it. */
     onClose: () => void;
+    /**
+     * What the spectra were measured with, which decides what the viewer says it
+     * does and whom it credits for it.
+     * @default 'infrared'
+     */
+    technique?: IrTechnique;
 }
 /**
  * What the viewer is, what it stands on, and who is owed for it.

package/lib/ir/ui/IrAboutDialog.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"IrAboutDialog.d.ts","sourceRoot":"","sources":["../../../src/ir/ui/IrAboutDialog.tsx"],"names":[],"mappings":"AAKA,OAAO,KAAK,EAAE,WAAW,EAAE,MAAM,wBAAwB,CAAC;AAK1D,MAAM,WAAW,kBAAkB;IACjC,kCAAkC;IAClC,MAAM,EAAE,OAAO,CAAC;IAChB,gBAAgB;IAChB,OAAO,EAAE,MAAM,IAAI,CAAC;IACpB;;;;OAIG;IACH,SAAS,CAAC,EAAE,WAAW,CAAC;CACzB;AAED;;;;;;;;;GASG;AACH,wBAAgB,aAAa,CAAC,KAAK,EAAE,kBAAkB,+BAyFtD"}