react-science 0.19.1

package/lib-esm/app/panels/measurements/MeasurementsTable.js

@@ -0,0 +1,143 @@
+import { jsx as _jsx, jsxs as _jsxs } from "@emotion/react/jsx-runtime";
+/** @jsxImportSource @emotion/react */
+import { css } from '@emotion/react';
+import { FaTrash } from 'react-icons/fa';
+import { useAppDispatch, useAppState, } from '../../../app-data/index';
+import { ConfirmModal, useOnOff } from '../../../components/index';
+import { MeasurementCheckbox } from './MeasurementCheckbox';
+import MeasurementColorPreview from './MeasurementColorPreview';
+import MeasurementVisibilityToggle, { MeasurementSelectedVisibilityChange, } from './MeasurementVisibilityToggle';
+const styles = {
+    root: css `
+    font-size: 0.875rem;
+    line-height: 1.25rem;
+    border-collapse: collapse;
+    table-layout: fixed;
+  `,
+    th: css `
+    border-bottom-width: 1px;
+    font-weight: 500;
+    text-align: left;
+    padding-bottom: 10px;
+    padding-top: 10px;
+    padding-left: 2rem;
+  `,
+    tbody: css `
+    background-color: white;
+  `,
+    tr: css `
+    height: 50px;
+    max-height: 50px;
+    overflow: hidden;
+    cursor: pointer;
+    padding-left: 2rem;
+    padding-bottom: 10px;
+    padding-top: 10px;
+    border-bottom-width: 1px;
+
+    font-weight: 500;
+    font-size: 0.875rem;
+    line-height: 1.25rem;
+  `,
+    header: css `
+    border-bottom-width: 1px;
+    font-weight: 500;
+    text-align: left;
+    padding-bottom: 10px;
+    padding-top: 10px;
+    padding-left: 2rem;
+  `,
+    iconsContainer: css `
+    display: flex;
+    justify-content: center;
+    align-items: center;
+    justify-items: center;
+    height: 50px;
+    flex-direction: row;
+    gap: 0.5rem;
+    cursor: default;
+    width: 70px;
+  `,
+    linkButton: css `
+    cursor: pointer;
+    :hover {
+      text-decoration: underline;
+    }
+  `,
+    container: css `
+    display: flex;
+    flex-direction: column;
+    gap: 5px;
+  `,
+    headerColumn: css `
+    display: flex;
+    flex-direction: row;
+    gap: 10px;
+    align-items: center;
+    padding-left: 5px;
+
+    border-bottom: 1px solid black;
+  `,
+};
+export function MeasurementsTable(props) {
+    const { kind } = props;
+    const { data: { measurements }, view: { selectedMeasurements }, } = useAppState();
+    const dispatch = useAppDispatch();
+    const [isRemoveModalOpen, openRemoveModal, closeRemoveModal] = useOnOff();
+    const hasSelectedMeasurements = (selectedMeasurements[kind]?.length ?? 0) > 0;
+    function onSelectLink(select) {
+        dispatch({
+            type: 'SELECT_ALL_MEASUREMENTS',
+            payload: {
+                kind,
+                select,
+            },
+        });
+    }
+    function onRemove() {
+        dispatch({ type: 'REMOVE_SELECTED_MEASUREMENTS', payload: { kind } });
+        closeRemoveModal();
+    }
+    return (_jsxs("div", { css: styles.container, children: [_jsxs("div", { css: styles.headerColumn, children: [_jsx(MeasurementSelectedVisibilityChange, { kind: kind, openedEyes: true }), _jsx(MeasurementSelectedVisibilityChange, { kind: kind, openedEyes: false }), _jsx("span", { css: styles.linkButton, onClick: () => onSelectLink(true), children: "Select all" }), _jsx("span", { css: styles.linkButton, onClick: () => onSelectLink(false), children: "Unselect all" }), _jsx(FaTrash, { style: hasSelectedMeasurements ? { cursor: 'pointer' } : { opacity: 0.6 }, onClick: hasSelectedMeasurements ? openRemoveModal : undefined }), _jsx(ConfirmModal, { headerColor: "red", isOpen: isRemoveModalOpen, onConfirm: onRemove, onRequestClose: closeRemoveModal, saveText: "Remove", children: _jsx("div", { style: { fontWeight: 'bold', padding: 10 }, children: "Remove selected measurements?" }) })] }), _jsxs("table", { css: styles.root, children: [_jsx(MeasurementsTableHeader, {}), _jsx("tbody", { css: styles.tbody, children: measurements[kind].entries.map((element) => (_jsx(MeasurementsTableRow, { item: element, kind: kind }, element.id))) })] })] }));
+}
+const tableHeaderStyles = {
+    thStyleEmpty: css `
+    display: flex;
+    gap: 5px;
+    align-items: center;
+    width: 70px;
+  `,
+    thStyleFilename: css `
+    width: 60%;
+  `,
+    thStyleTechnique: css `
+    width: 150px;
+  `,
+    tdName: css `
+    width: 60%;
+    overflow: hidden;
+  `,
+};
+function MeasurementsTableHeader() {
+    return (_jsx("thead", { children: _jsxs("tr", { css: styles.header, children: [_jsx("th", { css: tableHeaderStyles.thStyleEmpty }), _jsx("th", { css: tableHeaderStyles.thStyleFilename, children: "Filename" }), _jsx("th", { css: tableHeaderStyles.thStyleTechnique, children: "Technique" })] }) }));
+}
+function MeasurementsTableRow(props) {
+    const { item, kind } = props;
+    const { view: { selectedMeasurements, measurements }, } = useAppState();
+    const dispatch = useAppDispatch();
+    function onSelectRow() {
+        dispatch({
+            type: 'SELECT_MEASUREMENT',
+            payload: { id: item.id, kind, acc: 'replace' },
+        });
+    }
+    function onSelectCheckbox() {
+        const isAlreadyChecked = selectedMeasurements[kind]?.includes(item.id);
+        dispatch({
+            type: 'SELECT_MEASUREMENT',
+            payload: { id: item.id, kind, acc: isAlreadyChecked ? 'remove' : 'add' },
+        });
+    }
+    return (_jsxs("tr", { css: styles.tr, children: [_jsxs("td", { css: styles.iconsContainer, children: [_jsx(MeasurementVisibilityToggle, { id: item.id, isVisible: measurements[item.id].visible }), _jsx(MeasurementColorPreview, { measurementId: item.id, kind: kind, color: measurements[item.id].color }), _jsx(MeasurementCheckbox, { checked: selectedMeasurements[kind]?.includes(item.id) || false, onSelectCheckbox: onSelectCheckbox })] }), _jsx("td", { css: tableHeaderStyles.tdName, onClick: onSelectRow, title: item.id, children: item.info.file?.name ?? item.info.title }), _jsx("td", { onClick: onSelectRow, children: item.meta.technique })] }));
+}
+//# sourceMappingURL=MeasurementsTable.js.map

package/lib-esm/app/panels/measurements/MeasurementsTable.js.map

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package/lib-esm/app/panels/measurements/index.d.ts

@@ -0,0 +1,3 @@
+export * from './MeasurementsPanelAccordion';
+export * from './MeasurementsPanel';
+//# sourceMappingURL=index.d.ts.map

package/lib-esm/app/panels/measurements/index.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../../src/app/panels/measurements/index.ts"],"names":[],"mappings":"AAAA,cAAc,8BAA8B,CAAC;AAC7C,cAAc,qBAAqB,CAAC"}

package/lib-esm/app/panels/measurements/index.js

@@ -0,0 +1,3 @@
+export * from './MeasurementsPanelAccordion';
+export * from './MeasurementsPanel';
+//# sourceMappingURL=index.js.map

package/lib-esm/app/panels/measurements/index.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../../src/app/panels/measurements/index.ts"],"names":[],"mappings":"AAAA,cAAc,8BAA8B,CAAC;AAC7C,cAAc,qBAAqB,CAAC"}

package/lib-esm/app-data/enhancers/enhance.d.ts

@@ -0,0 +1,8 @@
+import type { Measurements } from '../index';
+import { MeasurementBase } from '../state/index';
+export type Enhancer<T extends MeasurementBase> = (data: T) => void;
+export type Enhancers = {
+    [mKind in keyof Measurements]: Enhancer<Measurements[mKind]['entries'][number]>[];
+};
+export declare function enhance(measurements: Partial<Measurements>, enhancers: Partial<Enhancers>): void;
+//# sourceMappingURL=enhance.d.ts.map

package/lib-esm/app-data/enhancers/enhance.d.ts.map

@@ -0,0 +1 @@
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package/lib-esm/app-data/enhancers/enhance.js

@@ -0,0 +1,13 @@
+export function enhance(measurements, enhancers) {
+    for (const [kind, kindEnhancers] of Object.entries(enhancers)) {
+        const kindMeasurements = measurements[kind];
+        if (kindMeasurements) {
+            for (const measurement of kindMeasurements.entries) {
+                for (const enhancer of kindEnhancers) {
+                    enhancer(measurement);
+                }
+            }
+        }
+    }
+}
+//# sourceMappingURL=enhance.js.map

package/lib-esm/app-data/enhancers/enhance.js.map

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package/lib-esm/app-data/enhancers/index.d.ts

@@ -0,0 +1,2 @@
+export * from './enhance';
+//# sourceMappingURL=index.d.ts.map

package/lib-esm/app-data/enhancers/index.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/app-data/enhancers/index.ts"],"names":[],"mappings":"AAAA,cAAc,WAAW,CAAC"}

package/lib-esm/app-data/enhancers/index.js

@@ -0,0 +1,2 @@
+export * from './enhance';
+//# sourceMappingURL=index.js.map

package/lib-esm/app-data/enhancers/index.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/app-data/enhancers/index.ts"],"names":[],"mappings":"AAAA,cAAc,WAAW,CAAC"}

package/lib-esm/app-data/helpers/index.d.ts

@@ -0,0 +1,2 @@
+export * from './variables';
+//# sourceMappingURL=index.d.ts.map

package/lib-esm/app-data/helpers/index.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/app-data/helpers/index.ts"],"names":[],"mappings":"AAAA,cAAc,aAAa,CAAC"}

package/lib-esm/app-data/helpers/index.js

@@ -0,0 +1,2 @@
+export * from './variables';
+//# sourceMappingURL=index.js.map

package/lib-esm/app-data/helpers/index.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/app-data/helpers/index.ts"],"names":[],"mappings":"AAAA,cAAc,aAAa,CAAC"}

package/lib-esm/app-data/helpers/variables.d.ts

@@ -0,0 +1,6 @@
+import { MeasurementVariable } from 'cheminfo-types';
+import { MeasurementBase } from '../state/index';
+export declare function getAllVariableSymbols(measurement: MeasurementBase): string[];
+export declare function getPreferredVariable(measurement: MeasurementBase, axis: 'x' | 'y'): MeasurementVariable;
+export declare function getVariableByLabel(measurement: MeasurementBase, label: string): MeasurementVariable | null;
+//# sourceMappingURL=variables.d.ts.map

package/lib-esm/app-data/helpers/variables.d.ts.map

@@ -0,0 +1 @@
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package/lib-esm/app-data/helpers/variables.js

@@ -0,0 +1,20 @@
+export function getAllVariableSymbols(measurement) {
+    return Object.values(measurement.data[0].variables).map((v) => v.label);
+}
+export function getPreferredVariable(measurement, axis) {
+    if (axis === 'x') {
+        return measurement.data[0].variables.x || measurement.data[0].variables.a;
+    }
+    else {
+        return measurement.data[0].variables.y || measurement.data[0].variables.b;
+    }
+}
+export function getVariableByLabel(measurement, label) {
+    const variables = measurement.data[0].variables;
+    for (const value of Object.values(variables)) {
+        if (value.label === label)
+            return value;
+    }
+    return null;
+}
+//# sourceMappingURL=variables.js.map

package/lib-esm/app-data/helpers/variables.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"variables.js","sourceRoot":"","sources":["../../../src/app-data/helpers/variables.ts"],"names":[],"mappings":"AAIA,MAAM,UAAU,qBAAqB,CAAC,WAA4B;IAChE,OAAO,MAAM,CAAC,MAAM,CAAC,WAAW,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC;AAC1E,CAAC;AAED,MAAM,UAAU,oBAAoB,CAClC,WAA4B,EAC5B,IAAe;IAEf,IAAI,IAAI,KAAK,GAAG,EAAE;QAChB,OAAO,WAAW,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,IAAI,WAAW,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC;KAC3E;SAAM;QACL,OAAO,WAAW,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,IAAI,WAAW,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC;KAC3E;AACH,CAAC;AAED,MAAM,UAAU,kBAAkB,CAChC,WAA4B,EAC5B,KAAa;IAEb,MAAM,SAAS,GAAG,WAAW,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IAChD,KAAK,MAAM,KAAK,IAAI,MAAM,CAAC,MAAM,CAAC,SAAS,CAAC,EAAE;QAC5C,IAAI,KAAK,CAAC,KAAK,KAAK,KAAK;YAAE,OAAO,KAAK,CAAC;KACzC;IACD,OAAO,IAAI,CAAC;AACd,CAAC"}

package/lib-esm/app-data/index.d.ts

@@ -0,0 +1,7 @@
+export * from './enhancers/index';
+export * from './helpers/index';
+export * from './kinds/index';
+export * from './loaders/index';
+export * from './state/index';
+export * from './utils';
+//# sourceMappingURL=index.d.ts.map

package/lib-esm/app-data/index.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../src/app-data/index.ts"],"names":[],"mappings":"AAAA,cAAc,mBAAmB,CAAC;AAClC,cAAc,iBAAiB,CAAC;AAChC,cAAc,eAAe,CAAC;AAC9B,cAAc,iBAAiB,CAAC;AAChC,cAAc,eAAe,CAAC;AAC9B,cAAc,SAAS,CAAC"}

package/lib-esm/app-data/index.js

@@ -0,0 +1,7 @@
+export * from './enhancers/index';
+export * from './helpers/index';
+export * from './kinds/index';
+export * from './loaders/index';
+export * from './state/index';
+export * from './utils';
+//# sourceMappingURL=index.js.map

package/lib-esm/app-data/index.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../src/app-data/index.ts"],"names":[],"mappings":"AAAA,cAAc,mBAAmB,CAAC;AAClC,cAAc,iBAAiB,CAAC;AAChC,cAAc,eAAe,CAAC;AAC9B,cAAc,iBAAiB,CAAC;AAChC,cAAc,eAAe,CAAC;AAC9B,cAAc,SAAS,CAAC"}

package/lib-esm/app-data/kinds/index.d.ts

@@ -0,0 +1,3 @@
+export * from './ir/index';
+export * from './iv/index';
+//# sourceMappingURL=index.d.ts.map

package/lib-esm/app-data/kinds/index.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/app-data/kinds/index.ts"],"names":[],"mappings":"AAAA,cAAc,YAAY,CAAC;AAC3B,cAAc,YAAY,CAAC"}

package/lib-esm/app-data/kinds/index.js

@@ -0,0 +1,3 @@
+export * from './ir/index';
+export * from './iv/index';
+//# sourceMappingURL=index.js.map

package/lib-esm/app-data/kinds/index.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/app-data/kinds/index.ts"],"names":[],"mappings":"AAAA,cAAc,YAAY,CAAC;AAC3B,cAAc,YAAY,CAAC"}

package/lib-esm/app-data/kinds/ir/IrMeasurement.d.ts

@@ -0,0 +1,13 @@
+import type { MeasurementBase } from '../../index';
+import type { IrPeak } from './IrPeak';
+/**
+ * When we have a simple measurement like uv, ir, etc, data should only contain one element
+ * Sometimes measurements are more complex like in GC / MS, GC / MS / MS, raman images, etc. In this case we will add the meta and info properties
+ * to differentiate each measurement
+ * If we have isotherm with gaz absorption / desorption this format should also be used.
+ * The 'info'for each 'Measurement' should be normalized.
+ */
+export interface IrMeasurement extends MeasurementBase {
+    peaks?: IrPeak[];
+}
+//# sourceMappingURL=IrMeasurement.d.ts.map

package/lib-esm/app-data/kinds/ir/IrMeasurement.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"IrMeasurement.d.ts","sourceRoot":"","sources":["../../../../src/app-data/kinds/ir/IrMeasurement.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,eAAe,EAAE,MAAM,aAAa,CAAC;AAEnD,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,UAAU,CAAC;AAEvC;;;;;;GAMG;AAEH,MAAM,WAAW,aAAc,SAAQ,eAAe;IACpD,KAAK,CAAC,EAAE,MAAM,EAAE,CAAC;CAClB"}

package/lib-esm/app-data/kinds/ir/IrMeasurement.js

@@ -0,0 +1,2 @@
+export {};
+//# sourceMappingURL=IrMeasurement.js.map

package/lib-esm/app-data/kinds/ir/IrMeasurement.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"IrMeasurement.js","sourceRoot":"","sources":["../../../../src/app-data/kinds/ir/IrMeasurement.ts"],"names":[],"mappings":""}

package/lib-esm/app-data/kinds/ir/IrPeak.d.ts

@@ -0,0 +1,8 @@
+export type IrPeakKind = 'S' | 'w' | 'm';
+export interface IrPeak {
+    wavenumber: number;
+    absorbance: number;
+    transmittance: number;
+    kind: IrPeakKind;
+}
+//# sourceMappingURL=IrPeak.d.ts.map

package/lib-esm/app-data/kinds/ir/IrPeak.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"IrPeak.d.ts","sourceRoot":"","sources":["../../../../src/app-data/kinds/ir/IrPeak.ts"],"names":[],"mappings":"AAAA,MAAM,MAAM,UAAU,GAAG,GAAG,GAAG,GAAG,GAAG,GAAG,CAAC;AAEzC,MAAM,WAAW,MAAM;IACrB,UAAU,EAAE,MAAM,CAAC;IACnB,UAAU,EAAE,MAAM,CAAC;IACnB,aAAa,EAAE,MAAM,CAAC;IACtB,IAAI,EAAE,UAAU,CAAC;CAClB"}

package/lib-esm/app-data/kinds/ir/IrPeak.js

@@ -0,0 +1,2 @@
+export {};
+//# sourceMappingURL=IrPeak.js.map

package/lib-esm/app-data/kinds/ir/IrPeak.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"IrPeak.js","sourceRoot":"","sources":["../../../../src/app-data/kinds/ir/IrPeak.ts"],"names":[],"mappings":""}

package/lib-esm/app-data/kinds/ir/index.d.ts

@@ -0,0 +1,5 @@
+export * from './irAutoPeakPickingEnhancer';
+export * from './IrMeasurement';
+export * from './irMeasurementEnhancer';
+export * from './IrPeak';
+//# sourceMappingURL=index.d.ts.map

package/lib-esm/app-data/kinds/ir/index.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../../src/app-data/kinds/ir/index.ts"],"names":[],"mappings":"AAAA,cAAc,6BAA6B,CAAC;AAC5C,cAAc,iBAAiB,CAAC;AAChC,cAAc,yBAAyB,CAAC;AACxC,cAAc,UAAU,CAAC"}

package/lib-esm/app-data/kinds/ir/index.js

@@ -0,0 +1,5 @@
+export * from './irAutoPeakPickingEnhancer';
+export * from './IrMeasurement';
+export * from './irMeasurementEnhancer';
+export * from './IrPeak';
+//# sourceMappingURL=index.js.map

package/lib-esm/app-data/kinds/ir/index.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../../src/app-data/kinds/ir/index.ts"],"names":[],"mappings":"AAAA,cAAc,6BAA6B,CAAC;AAC5C,cAAc,iBAAiB,CAAC;AAChC,cAAc,yBAAyB,CAAC;AACxC,cAAc,UAAU,CAAC"}

package/lib-esm/app-data/kinds/ir/irAutoPeakPickingEnhancer.d.ts

@@ -0,0 +1,20 @@
+import { GSDOptions } from 'ml-gsd';
+import type { Shape1D } from 'ml-peak-shape-generator';
+import type { IrMeasurement } from './IrMeasurement';
+export interface AutoPeakPickingOptions extends GSDOptions {
+    /** x variable label, by default 'x' */
+    xVariable?: string;
+    /** y variable label, by default 'y' */
+    yVariable?: string;
+    shape?: Shape1D;
+    /** First X value for the peak picking (default: first X value */
+    from?: number;
+    /** Last X value for the peak picking (default: last X value */
+    to?: number;
+    /** Minimal peak width */
+    minPeakWidth?: number;
+}
+/** Based on a x value we will return a peak*/
+export declare function irAutoPeakPickingEnhancer(measurement: IrMeasurement, options?: AutoPeakPickingOptions): never[] | undefined;
+export declare function getIrAutoPeakPickingEnhancer(options: AutoPeakPickingOptions | undefined): (measurement: IrMeasurement) => never[] | undefined;
+//# sourceMappingURL=irAutoPeakPickingEnhancer.d.ts.map

package/lib-esm/app-data/kinds/ir/irAutoPeakPickingEnhancer.d.ts.map

@@ -0,0 +1 @@
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package/lib-esm/app-data/kinds/ir/irAutoPeakPickingEnhancer.js

@@ -0,0 +1,50 @@
+import { gsd } from 'ml-gsd';
+import { xMinMaxValues } from 'ml-spectra-processing';
+/** Based on a x value we will return a peak*/
+export function irAutoPeakPickingEnhancer(measurement, options = {}) {
+    const { xVariable = 'x', yVariable = 'y', minPeakWidth } = options;
+    // we throw if there are more than one spectrum
+    if (measurement.data.length > 1) {
+        throw new Error('autoPeakPickingEnhancer can only be applied if there is only on measurement data');
+    }
+    if (measurement.data.length === 0)
+        return;
+    const datum = measurement.data[0];
+    let x = datum.variables[xVariable]?.data;
+    let y = datum.variables[yVariable]?.data;
+    if (!x || !y)
+        return [];
+    let { from, to } = options;
+    let peaks = gsd({ x, y }, options);
+    if (from !== undefined) {
+        peaks = peaks.filter((peak) => peak.x >= from);
+    }
+    if (to !== undefined) {
+        peaks = peaks.filter((peak) => peak.x <= to);
+    }
+    if (minPeakWidth) {
+        peaks = peaks.filter((peak) => peak.width >= minPeakWidth);
+    }
+    const minMaxTransmittance = xMinMaxValues(datum.variables.t.data);
+    const results = peaks.map((peak) => ({
+        wavenumber: datum.variables.x.data[peak.index],
+        absorbance: datum.variables.a.data[peak.index],
+        transmittance: datum.variables.t.data[peak.index] / 100,
+        kind: getPeakKind(datum.variables.t.data[peak.index], minMaxTransmittance.min, minMaxTransmittance.max),
+    }));
+    measurement.peaks = results;
+}
+export function getIrAutoPeakPickingEnhancer(options) {
+    return (measurement) => irAutoPeakPickingEnhancer(measurement, options);
+}
+function getPeakKind(transmittance, minTransmittance, maxTransmittance) {
+    let position = (maxTransmittance - transmittance) / (maxTransmittance - minTransmittance);
+    if (position < 0.33) {
+        return 'w';
+    }
+    else if (position < 0.66) {
+        return 'm';
+    }
+    return 'S';
+}
+//# sourceMappingURL=irAutoPeakPickingEnhancer.js.map

package/lib-esm/app-data/kinds/ir/irAutoPeakPickingEnhancer.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"irAutoPeakPickingEnhancer.js","sourceRoot":"","sources":["../../../../src/app-data/kinds/ir/irAutoPeakPickingEnhancer.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,GAAG,EAAc,MAAM,QAAQ,CAAC;AAEzC,OAAO,EAAE,aAAa,EAAE,MAAM,uBAAuB,CAAC;AAmBtD,8CAA8C;AAC9C,MAAM,UAAU,yBAAyB,CACvC,WAA0B,EAC1B,UAAkC,EAAE;IAEpC,MAAM,EAAE,SAAS,GAAG,GAAG,EAAE,SAAS,GAAG,GAAG,EAAE,YAAY,EAAE,GAAG,OAAO,CAAC;IAEnE,+CAA+C;IAC/C,IAAI,WAAW,CAAC,IAAI,CAAC,MAAM,GAAG,CAAC,EAAE;QAC/B,MAAM,IAAI,KAAK,CACb,kFAAkF,CACnF,CAAC;KACH;IACD,IAAI,WAAW,CAAC,IAAI,CAAC,MAAM,KAAK,CAAC;QAAE,OAAO;IAE1C,MAAM,KAAK,GAAG,WAAW,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;IAElC,IAAI,CAAC,GAAG,KAAK,CAAC,SAAS,CAAC,SAAS,CAAC,EAAE,IAAI,CAAC;IACzC,IAAI,CAAC,GAAG,KAAK,CAAC,SAAS,CAAC,SAAS,CAAC,EAAE,IAAI,CAAC;IACzC,IAAI,CAAC,CAAC,IAAI,CAAC,CAAC;QAAE,OAAO,EAAE,CAAC;IAExB,IAAI,EAAE,IAAI,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC;IAE3B,IAAI,KAAK,GACP,GAAG,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,OAAO,CAAC,CAAC;IAEzB,IAAI,IAAI,KAAK,SAAS,EAAE;QACtB,KAAK,GAAG,KAAK,CAAC,MAAM,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,CAAC,CAAC,IAAK,IAAe,CAAC,CAAC;KAC5D;IACD,IAAI,EAAE,KAAK,SAAS,EAAE;QACpB,KAAK,GAAG,KAAK,CAAC,MAAM,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,CAAC,CAAC,IAAK,EAAa,CAAC,CAAC;KAC1D;IACD,IAAI,YAAY,EAAE;QAChB,KAAK,GAAG,KAAK,CAAC,MAAM,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,CAAC,KAAK,IAAI,YAAY,CAAC,CAAC;KAC5D;IAED,MAAM,mBAAmB,GAAG,aAAa,CAAC,KAAK,CAAC,SAAS,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC;IAClE,MAAM,OAAO,GAAa,KAAK,CAAC,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC;QAC7C,UAAU,EAAE,KAAK,CAAC,SAAS,CAAC,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC;QAC9C,UAAU,EAAE,KAAK,CAAC,SAAS,CAAC,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC;QAC9C,aAAa,EAAE,KAAK,CAAC,SAAS,CAAC,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC,GAAG,GAAG;QACvD,IAAI,EAAE,WAAW,CACf,KAAK,CAAC,SAAS,CAAC,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC,EAClC,mBAAmB,CAAC,GAAG,EACvB,mBAAmB,CAAC,GAAG,CACxB;KACF,CAAC,CAAC,CAAC;IAEJ,WAAW,CAAC,KAAK,GAAG,OAAO,CAAC;AAC9B,CAAC;AAED,MAAM,UAAU,4BAA4B,CAC1C,OAA2C;IAE3C,OAAO,CAAC,WAA0B,EAAE,EAAE,CACpC,yBAAyB,CAAC,WAAW,EAAE,OAAO,CAAC,CAAC;AACpD,CAAC;AAED,SAAS,WAAW,CAClB,aAAqB,EACrB,gBAAwB,EACxB,gBAAwB;IAExB,IAAI,QAAQ,GACV,CAAC,gBAAgB,GAAG,aAAa,CAAC,GAAG,CAAC,gBAAgB,GAAG,gBAAgB,CAAC,CAAC;IAC7E,IAAI,QAAQ,GAAG,IAAI,EAAE;QACnB,OAAO,GAAG,CAAC;KACZ;SAAM,IAAI,QAAQ,GAAG,IAAI,EAAE;QAC1B,OAAO,GAAG,CAAC;KACZ;IACD,OAAO,GAAG,CAAC;AACb,CAAC"}

package/lib-esm/app-data/kinds/ir/irMeasurementEnhancer.d.ts

@@ -0,0 +1,8 @@
+import type { MeasurementBase } from '../../index';
+/**
+ * we add missing absorbance / transmittance
+ * variable a = absorbance
+ * variable t = transmittance
+ */
+export declare function irMeasurementEnhancer(measurement: MeasurementBase): void;
+//# sourceMappingURL=irMeasurementEnhancer.d.ts.map

package/lib-esm/app-data/kinds/ir/irMeasurementEnhancer.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"irMeasurementEnhancer.d.ts","sourceRoot":"","sources":["../../../../src/app-data/kinds/ir/irMeasurementEnhancer.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,eAAe,EAAE,MAAM,aAAa,CAAC;AAEnD;;;;GAIG;AAEH,wBAAgB,qBAAqB,CAAC,WAAW,EAAE,eAAe,QA0CjE"}

package/lib-esm/app-data/kinds/ir/irMeasurementEnhancer.js

@@ -0,0 +1,47 @@
+/**
+ * we add missing absorbance / transmittance
+ * variable a = absorbance
+ * variable t = transmittance
+ */
+export function irMeasurementEnhancer(measurement) {
+    for (const datum of measurement.data) {
+        const variables = datum.variables;
+        let yVariable = variables.y;
+        let absorbance = true;
+        if (yVariable.label.toLowerCase().includes('trans')) {
+            absorbance = false;
+        }
+        if (absorbance) {
+            variables.a = { ...yVariable };
+            variables.a.data = variables.a.data.slice();
+            variables.t = {
+                data: yVariable.data.map((absorbance) => 10 ** -absorbance * 100),
+                label: 'Transmittance (%)',
+                units: '',
+            };
+        }
+        else {
+            const factor = yVariable.label.includes('%') ||
+                yVariable.label.toLowerCase().includes('percent')
+                ? 100
+                : 1;
+            variables.a = {
+                data: yVariable.data.map((transmittance) => -Math.log10(transmittance / factor)),
+                label: 'Absorbance',
+                units: '',
+            };
+            if (factor === 100) {
+                variables.t = { ...yVariable };
+                variables.t.data = variables.t.data.slice();
+            }
+            else {
+                variables.t = {
+                    units: '',
+                    label: 'Transmittance (%)',
+                    data: yVariable.data.map((transmittance) => transmittance * 100),
+                };
+            }
+        }
+    }
+}
+//# sourceMappingURL=irMeasurementEnhancer.js.map

package/lib-esm/app-data/kinds/ir/irMeasurementEnhancer.js.map

@@ -0,0 +1 @@
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package/lib-esm/app-data/kinds/iv/IvMeasurement.d.ts

@@ -0,0 +1,4 @@
+import type { MeasurementBase } from '../../index';
+export interface IvMeasurement extends MeasurementBase {
+}
+//# sourceMappingURL=IvMeasurement.d.ts.map

package/lib-esm/app-data/kinds/iv/IvMeasurement.d.ts.map

@@ -0,0 +1 @@
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package/lib-esm/app-data/kinds/iv/IvMeasurement.js

@@ -0,0 +1,2 @@
+export {};
+//# sourceMappingURL=IvMeasurement.js.map

package/lib-esm/app-data/kinds/iv/IvMeasurement.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"IvMeasurement.js","sourceRoot":"","sources":["../../../../src/app-data/kinds/iv/IvMeasurement.ts"],"names":[],"mappings":""}

package/lib-esm/app-data/kinds/iv/index.d.ts

@@ -0,0 +1,2 @@
+export * from './IvMeasurement';
+//# sourceMappingURL=index.d.ts.map

package/lib-esm/app-data/kinds/iv/index.d.ts.map

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package/lib-esm/app-data/kinds/iv/index.js

@@ -0,0 +1,2 @@
+export * from './IvMeasurement';
+//# sourceMappingURL=index.js.map

package/lib-esm/app-data/kinds/iv/index.js.map

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package/lib-esm/app-data/loaders/biologicLoader.d.ts

@@ -0,0 +1,11 @@
+import type { FileCollection } from 'filelist-utils';
+import type { Measurements } from '../index';
+import { ParserLog } from './utility/parserLog';
+/**
+ *
+ * @param fileCollection - the dragged file/files
+ * @param logs - pass to append errors to the logs, it mutates the external array.
+ * @returns - new measurements object to be merged
+ */
+export declare function biologicLoader(fileCollection: FileCollection, logs?: ParserLog[]): Promise<Partial<Measurements>>;
+//# sourceMappingURL=biologicLoader.d.ts.map

package/lib-esm/app-data/loaders/biologicLoader.d.ts.map

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