spectraview 1.2.0 → 1.3.0

package/dist/index.d.cts

@@ -832,6 +832,58 @@ declare function derivative1st(x: Float64Array | number[], y: Float64Array | num
  */
 declare function derivative2nd(x: Float64Array | number[], y: Float64Array | number[]): Float64Array;
 
+/**
+ * Spectrum comparison and mathematical operations.
+ *
+ * Provides functions for computing difference spectra, correlation
+ * coefficients, spectral arithmetic, and residuals.
+ *
+ * All functions assume spectra share the same X-axis (same length
+ * and point spacing). Use `interpolateToGrid` to align spectra
+ * before comparison if needed.
+ *
+ * @module comparison
+ */
+
+/**
+ * Compute the difference spectrum (a - b).
+ *
+ * @param a - First spectrum
+ * @param b - Second spectrum
+ * @returns New Spectrum representing a - b
+ */
+declare function differenceSpectrum(a: Spectrum, b: Spectrum): Spectrum;
+/**
+ * Add two spectra element-wise.
+ */
+declare function addSpectra(a: Spectrum, b: Spectrum): Spectrum;
+/**
+ * Multiply spectrum Y values by a scalar factor.
+ */
+declare function scaleSpectrum(spectrum: Spectrum, factor: number): Spectrum;
+/**
+ * Pearson correlation coefficient between two spectra's Y values.
+ *
+ * Returns a value in [-1, 1] where 1 means perfect positive
+ * correlation and 0 means no linear correlation.
+ */
+declare function correlationCoefficient(a: Spectrum, b: Spectrum): number;
+/**
+ * Compute the residual (absolute difference) between two spectra.
+ */
+declare function residualSpectrum(a: Spectrum, b: Spectrum): Spectrum;
+/**
+ * Interpolate a spectrum to a new X grid using linear interpolation.
+ *
+ * Useful for aligning two spectra that have different X-axis points
+ * before performing comparison operations.
+ *
+ * @param spectrum - Source spectrum
+ * @param newX - Target X values
+ * @returns Spectrum interpolated to the new X grid
+ */
+declare function interpolateToGrid(spectrum: Spectrum, newX: Float64Array | number[]): Spectrum;
+
 /**
  * JCAMP-DX parser for spectral data.
  *
@@ -953,4 +1005,4 @@ declare function createXScale(domain: [number, number], width: number, margin: M
  */
 declare function createYScale(domain: [number, number], height: number, margin: Margin): d3_scale.ScaleLinear<number, number, never>;
 
-export { type Annotation, AnnotationLayer, type AnnotationLayerProps, AxisLayer, Crosshair, type CrosshairPosition, type CrosshairProps, type CsvParseOptions, DARK_THEME, type DisplayMode, DropZone, type DropZoneProps, ExportMenu, type ExportMenuProps, KEYBOARD_SHORTCUTS, LIGHT_THEME, LINE_DASH_PATTERNS, type LTTBPoint, Legend, type LegendPosition$1 as LegendPosition, type LegendProps, type LineStyle, type Margin, Minimap, type MinimapProps, type Peak, type PeakDetectionOptions, PeakMarkers, type Region, RegionSelector, type ResolvedConfig, SPECTRUM_COLORS, type SnapPoint, type SnapResult, SpectraView, type SpectraViewProps, type Spectrum, SpectrumCanvas, type SpectrumType, StackedView, type SvgExportOptions, type Theme, Toolbar, type UseExportReturn, type UseKeyboardNavigationOptions, type UsePeakPickingOptions, type UseRegionSelectOptions, type UseRegionSelectReturn, type UseSpectrumDataReturn, type UseZoomPanOptions, type UseZoomPanReturn, type ViewState, type ZoomPanState, baselineRubberBand, binarySearchClosest, computeXExtent, computeYExtent, createXScale, createYScale, derivative1st, derivative2nd, detectPeaks, downloadSvg, generateChartDescription, generateSvg, getSpectrumColor, getThemeColors, lttbDownsample, normalizeArea, normalizeMinMax, normalizeSNV, parseCsv, parseCsvMulti, parseJcamp, parseJson, parseSpc, prefersReducedMotion, smoothSavitzkyGolay, snapToNearestSpectrum, useExport, useKeyboardNavigation, usePeakPicking, useRegionSelect, useResizeObserver, useSpectrumData, useZoomPan };
+export { type Annotation, AnnotationLayer, type AnnotationLayerProps, AxisLayer, Crosshair, type CrosshairPosition, type CrosshairProps, type CsvParseOptions, DARK_THEME, type DisplayMode, DropZone, type DropZoneProps, ExportMenu, type ExportMenuProps, KEYBOARD_SHORTCUTS, LIGHT_THEME, LINE_DASH_PATTERNS, type LTTBPoint, Legend, type LegendPosition$1 as LegendPosition, type LegendProps, type LineStyle, type Margin, Minimap, type MinimapProps, type Peak, type PeakDetectionOptions, PeakMarkers, type Region, RegionSelector, type ResolvedConfig, SPECTRUM_COLORS, type SnapPoint, type SnapResult, SpectraView, type SpectraViewProps, type Spectrum, SpectrumCanvas, type SpectrumType, StackedView, type SvgExportOptions, type Theme, Toolbar, type UseExportReturn, type UseKeyboardNavigationOptions, type UsePeakPickingOptions, type UseRegionSelectOptions, type UseRegionSelectReturn, type UseSpectrumDataReturn, type UseZoomPanOptions, type UseZoomPanReturn, type ViewState, type ZoomPanState, addSpectra, baselineRubberBand, binarySearchClosest, computeXExtent, computeYExtent, correlationCoefficient, createXScale, createYScale, derivative1st, derivative2nd, detectPeaks, differenceSpectrum, downloadSvg, generateChartDescription, generateSvg, getSpectrumColor, getThemeColors, interpolateToGrid, lttbDownsample, normalizeArea, normalizeMinMax, normalizeSNV, parseCsv, parseCsvMulti, parseJcamp, parseJson, parseSpc, prefersReducedMotion, residualSpectrum, scaleSpectrum, smoothSavitzkyGolay, snapToNearestSpectrum, useExport, useKeyboardNavigation, usePeakPicking, useRegionSelect, useResizeObserver, useSpectrumData, useZoomPan };

package/dist/index.d.ts

@@ -832,6 +832,58 @@ declare function derivative1st(x: Float64Array | number[], y: Float64Array | num
  */
 declare function derivative2nd(x: Float64Array | number[], y: Float64Array | number[]): Float64Array;
 
+/**
+ * Spectrum comparison and mathematical operations.
+ *
+ * Provides functions for computing difference spectra, correlation
+ * coefficients, spectral arithmetic, and residuals.
+ *
+ * All functions assume spectra share the same X-axis (same length
+ * and point spacing). Use `interpolateToGrid` to align spectra
+ * before comparison if needed.
+ *
+ * @module comparison
+ */
+
+/**
+ * Compute the difference spectrum (a - b).
+ *
+ * @param a - First spectrum
+ * @param b - Second spectrum
+ * @returns New Spectrum representing a - b
+ */
+declare function differenceSpectrum(a: Spectrum, b: Spectrum): Spectrum;
+/**
+ * Add two spectra element-wise.
+ */
+declare function addSpectra(a: Spectrum, b: Spectrum): Spectrum;
+/**
+ * Multiply spectrum Y values by a scalar factor.
+ */
+declare function scaleSpectrum(spectrum: Spectrum, factor: number): Spectrum;
+/**
+ * Pearson correlation coefficient between two spectra's Y values.
+ *
+ * Returns a value in [-1, 1] where 1 means perfect positive
+ * correlation and 0 means no linear correlation.
+ */
+declare function correlationCoefficient(a: Spectrum, b: Spectrum): number;
+/**
+ * Compute the residual (absolute difference) between two spectra.
+ */
+declare function residualSpectrum(a: Spectrum, b: Spectrum): Spectrum;
+/**
+ * Interpolate a spectrum to a new X grid using linear interpolation.
+ *
+ * Useful for aligning two spectra that have different X-axis points
+ * before performing comparison operations.
+ *
+ * @param spectrum - Source spectrum
+ * @param newX - Target X values
+ * @returns Spectrum interpolated to the new X grid
+ */
+declare function interpolateToGrid(spectrum: Spectrum, newX: Float64Array | number[]): Spectrum;
+
 /**
  * JCAMP-DX parser for spectral data.
  *
@@ -953,4 +1005,4 @@ declare function createXScale(domain: [number, number], width: number, margin: M
  */
 declare function createYScale(domain: [number, number], height: number, margin: Margin): d3_scale.ScaleLinear<number, number, never>;
 
-export { type Annotation, AnnotationLayer, type AnnotationLayerProps, AxisLayer, Crosshair, type CrosshairPosition, type CrosshairProps, type CsvParseOptions, DARK_THEME, type DisplayMode, DropZone, type DropZoneProps, ExportMenu, type ExportMenuProps, KEYBOARD_SHORTCUTS, LIGHT_THEME, LINE_DASH_PATTERNS, type LTTBPoint, Legend, type LegendPosition$1 as LegendPosition, type LegendProps, type LineStyle, type Margin, Minimap, type MinimapProps, type Peak, type PeakDetectionOptions, PeakMarkers, type Region, RegionSelector, type ResolvedConfig, SPECTRUM_COLORS, type SnapPoint, type SnapResult, SpectraView, type SpectraViewProps, type Spectrum, SpectrumCanvas, type SpectrumType, StackedView, type SvgExportOptions, type Theme, Toolbar, type UseExportReturn, type UseKeyboardNavigationOptions, type UsePeakPickingOptions, type UseRegionSelectOptions, type UseRegionSelectReturn, type UseSpectrumDataReturn, type UseZoomPanOptions, type UseZoomPanReturn, type ViewState, type ZoomPanState, baselineRubberBand, binarySearchClosest, computeXExtent, computeYExtent, createXScale, createYScale, derivative1st, derivative2nd, detectPeaks, downloadSvg, generateChartDescription, generateSvg, getSpectrumColor, getThemeColors, lttbDownsample, normalizeArea, normalizeMinMax, normalizeSNV, parseCsv, parseCsvMulti, parseJcamp, parseJson, parseSpc, prefersReducedMotion, smoothSavitzkyGolay, snapToNearestSpectrum, useExport, useKeyboardNavigation, usePeakPicking, useRegionSelect, useResizeObserver, useSpectrumData, useZoomPan };
+export { type Annotation, AnnotationLayer, type AnnotationLayerProps, AxisLayer, Crosshair, type CrosshairPosition, type CrosshairProps, type CsvParseOptions, DARK_THEME, type DisplayMode, DropZone, type DropZoneProps, ExportMenu, type ExportMenuProps, KEYBOARD_SHORTCUTS, LIGHT_THEME, LINE_DASH_PATTERNS, type LTTBPoint, Legend, type LegendPosition$1 as LegendPosition, type LegendProps, type LineStyle, type Margin, Minimap, type MinimapProps, type Peak, type PeakDetectionOptions, PeakMarkers, type Region, RegionSelector, type ResolvedConfig, SPECTRUM_COLORS, type SnapPoint, type SnapResult, SpectraView, type SpectraViewProps, type Spectrum, SpectrumCanvas, type SpectrumType, StackedView, type SvgExportOptions, type Theme, Toolbar, type UseExportReturn, type UseKeyboardNavigationOptions, type UsePeakPickingOptions, type UseRegionSelectOptions, type UseRegionSelectReturn, type UseSpectrumDataReturn, type UseZoomPanOptions, type UseZoomPanReturn, type ViewState, type ZoomPanState, addSpectra, baselineRubberBand, binarySearchClosest, computeXExtent, computeYExtent, correlationCoefficient, createXScale, createYScale, derivative1st, derivative2nd, detectPeaks, differenceSpectrum, downloadSvg, generateChartDescription, generateSvg, getSpectrumColor, getThemeColors, interpolateToGrid, lttbDownsample, normalizeArea, normalizeMinMax, normalizeSNV, parseCsv, parseCsvMulti, parseJcamp, parseJson, parseSpc, prefersReducedMotion, residualSpectrum, scaleSpectrum, smoothSavitzkyGolay, snapToNearestSpectrum, useExport, useKeyboardNavigation, usePeakPicking, useRegionSelect, useResizeObserver, useSpectrumData, useZoomPan };

package/dist/index.js

@@ -1,5 +1,5 @@
 "use client";
-import{useCallback as kt,useId as Tr,useMemo as I,useRef as wt,useState as _e}from"react";import{scaleLinear as lt}from"d3-scale";import{extent as ct}from"d3-array";var Xt=.05;function ge(e){let t=1/0,r=-1/0;for(let o of e){if(o.visible===!1)continue;let[n,a]=ct(o.x);n<t&&(t=n),a>r&&(r=a)}return isFinite(t)?[t,r]:[0,1]}function H(e){let t=1/0,r=-1/0;for(let a of e){if(a.visible===!1)continue;let[s,i]=ct(a.y);s<t&&(t=s),i>r&&(r=i)}if(!isFinite(t))return[0,1];let n=(r-t)*Xt;return[t-n,r+n]}function he(e,t,r,o){let n=t-r.left-r.right,a=o?[e[1],e[0]]:e;return lt().domain(a).range([0,n])}function X(e,t,r){let o=t-r.top-r.bottom;return lt().domain(e).range([o,0])}var ye=["#2563eb","#dc2626","#16a34a","#9333ea","#ea580c","#0891b2","#be185d","#854d0e","#4f46e5","#65a30d"],mt={background:"#ffffff",axisColor:"#374151",gridColor:"#e5e7eb",tickColor:"#6b7280",labelColor:"#111827",crosshairColor:"#9ca3af",regionFill:"rgba(37, 99, 235, 0.1)",regionStroke:"rgba(37, 99, 235, 0.4)",tooltipBg:"#ffffff",tooltipBorder:"#d1d5db",tooltipText:"#111827"},ut={background:"#111827",axisColor:"#d1d5db",gridColor:"#374151",tickColor:"#9ca3af",labelColor:"#f9fafb",crosshairColor:"#6b7280",regionFill:"rgba(96, 165, 250, 0.15)",regionStroke:"rgba(96, 165, 250, 0.5)",tooltipBg:"#1f2937",tooltipBorder:"#4b5563",tooltipText:"#f9fafb"};function P(e){return ye[e%ye.length]}function z(e){return e==="dark"?ut:mt}import{useCallback as xe,useEffect as Wt,useMemo as pt,useRef as te,useState as Yt}from"react";import{zoom as jt,zoomIdentity as Se}from"d3-zoom";import{select as V}from"d3-selection";import"d3-transition";var ft=1.5;function ve(e){let{plotWidth:t,plotHeight:r,xScale:o,yScale:n,scaleExtent:a=[1,50],enabled:s=!0,onViewChange:i}=e,l=te(null),c=te(null),u=te(i);u.current=i;let p=te(a);p.current=a;let[f,m]=Yt(Se),d=pt(()=>f.rescaleX(o.copy()),[f,o]),g=pt(()=>f.rescaleY(n.copy()),[f,n]);Wt(()=>{let S=l.current;if(!S||!s)return;let 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Re("g",{className:"spectraview-regions",children:e.map((n,a)=>{let s=t(n.xStart),i=t(n.xEnd),l=Math.min(s,i),c=Math.abs(i-s);return or("g",{children:[Re("rect",{x:l,y:0,width:c,height:r,fill:n.color??o.regionFill,stroke:o.regionStroke,strokeWidth:1}),n.label&&Re("text",{x:l+c/2,y:12,textAnchor:"middle",fill:o.labelColor,fontSize:10,fontFamily:"system-ui, sans-serif",children:n.label})]},`region-${a}`)})})}import{jsx as re,jsxs as Te}from"react/jsx-runtime";function Ae({position:e,width:t,height:r,colors:o,snapPoint:n}){return e?Te("g",{className:"spectraview-crosshair",pointerEvents:"none",children:[re("line",{x1:e.px,x2:e.px,y1:0,y2:r,stroke:o.crosshairColor,strokeWidth:1,strokeDasharray:"4 4"}),re("line",{x1:0,x2:t,y1:e.py,y2:e.py,stroke:o.crosshairColor,strokeWidth:1,strokeDasharray:"4 4"}),n&&re("circle",{cx:n.px,cy:n.py,r:4,fill:n.color??o.crosshairColor,stroke:o.background,strokeWidth:1.5}),Te("g",{transform:`translate(${Math.min(e.px+10,t-100)}, 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as $r,useEffect as Nr,useRef as Or,useMemo as He}from"react";import{scaleLinear as Mt}from"d3-scale";import{jsx as ae,jsxs as At}from"react/jsx-runtime";var zr=$r(function({spectra:t,xExtent:r,yExtent:o,visibleXDomain:n,width:a=200,height:s=50,theme:i="light",isZoomed:l=!1}){let c=Or(null),u=He(()=>z(i),[i]),p=He(()=>Mt().domain(r).range([0,a]),[r,a]),f=He(()=>Mt().domain(o).range([s-2,2]),[o,s]);Nr(()=>{let y=c.current?.getContext("2d");if(y){y.clearRect(0,0,a,s);for(let b=0;b<t.length;b++){let x=t[b];if(x.visible===!1)continue;let S=Math.min(x.x.length,x.y.length);if(S<2)continue;let k=x.color??P(b);y.beginPath(),y.strokeStyle=k,y.lineWidth=1,y.globalAlpha=.7;let h=Math.max(1,Math.floor(S/a)),v=!1;for(let w=0;w<S;w+=h){let C=p(x.x[w]),R=f(x.y[w]);v?y.lineTo(C,R):(y.moveTo(C,R),v=!0)}y.stroke()}}},[t,p,f,a,s]);let m=p(Math.min(n[0],n[1])),d=p(Math.max(n[0],n[1])),g=Math.max(d-m,2);return At("div",{className:"spectraview-minimap",style:{position:"relative",width:a,height:s,border:`1px 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u)p.some(g=>Math.abs(g.index-m.index)<n)||p.push(m);return(a?p.slice(0,a):p).map(m=>({x:e[m.index],y:t[m.index],label:Br(e[m.index])})).sort((m,d)=>m.x-d.x)}function Vr(e,t){let r=e[t];for(let o=t-1;o>=0&&!(e[o]>e[t]);o--)e[o]<r&&(r=e[o]);return r}function Zr(e,t){let r=e[t];for(let o=t+1;o<e.length&&!(e[o]>e[t]);o++)e[o]<r&&(r=e[o]);return r}function Br(e){return Math.round(e).toString()}function Hr(e,t={}){let{enabled:r=!0,spectrumIds:o,prominence:n,minDistance:a,maxPeaks:s}=t;return _r(()=>{if(!r)return[];let i=o?e.filter(c=>o.includes(c.id)):e,l=[];for(let c of i){if(c.visible===!1)continue;let u=Xe(c.x,c.y,{prominence:n,minDistance:a,maxPeaks:s});for(let p of u)l.push({...p,spectrumId:c.id})}return l},[e,r,o,n,a,s])}import{useCallback as _,useState as Ke}from"react";var Tt=0,Xr=["	",",",";"," "];function Et(e){let t=e.trim().split(/\r?\n/).slice(0,5),r=",",o=0;for(let n of Xr){let a=t.map(i=>i.split(n).length-1),s=Math.min(...a);s>0&&s>=o&&(a.every(l=>l===a[0])||s>o)&&(o=s,r=n)}return r}function We(e,t={}){let{xColumn:r=0,yColumn:o=1,hasHeader:n=!0,label:a="CSV Spectrum"}=t,s=t.delimiter??Et(e),i=e.trim().split(/\r?\n/);if(i.length<2)throw new Error("CSV file must contain at least 2 lines");let l=a,c=0;if(n){let f=i[0].split(s).map(m=>m.trim());!t.label&&f[o]&&(l=f[o]),c=1}let u=[],p=[];for(let f=c;f<i.length;f++){let m=i[f].trim();if(m===""||m.startsWith("#"))continue;let d=m.split(s),g=parseFloat(d[r]),y=parseFloat(d[o]);!isNaN(g)&&!isNaN(y)&&(u.push(g),p.push(y))}if(u.length===0)throw new Error("No valid numeric data found in CSV");return{id:`csv-${++Tt}`,label:l,x:new Float64Array(u),y:new Float64Array(p)}}function Wr(e,t={}){let{hasHeader:r=!0,label:o}=t,n=t.delimiter??Et(e),a=e.trim().split(/\r?\n/);if(a.length<2)throw new Error("CSV file must contain at least 2 lines");let i=a[r?1:0].split(n).length;if(i<2)throw new Error("CSV must have at least 2 columns (x + y)");let l,c=0;r&&(l=a[0].split(n).map(m=>m.trim()),c=1);let u=[],p=Array.from({length:i-1},()=>[]);for(let m=c;m<a.length;m++){let d=a[m].trim();if(d===""||d.startsWith("#"))continue;let g=d.split(n),y=parseFloat(g[0]);if(!isNaN(y)){u.push(y);for(let b=1;b<i;b++){let x=parseFloat(g[b]);p[b-1].push(isNaN(x)?0:x)}}}let f=new Float64Array(u);return p.map((m,d)=>({id:`csv-${++Tt}`,label:o??l?.[d+1]??`Spectrum ${d+1}`,x:f,y:new Float64Array(m)}))}var Yr=0;function je(e){let t;try{t=JSON.parse(e)}catch{throw new Error("Invalid JSON: failed to parse input")}if(Array.isArray(t))return t.map((r,o)=>Ye(r,o));if(typeof t=="object"&&t!==null){let r=t;return Array.isArray(r.spectra)?r.spectra.map((o,n)=>Ye(o,n)):[Ye(t,0)]}throw new Error("Invalid JSON structure: expected an object or array")}function Ye(e,t){let r=e.x??e.wavenumbers??e.wavelengths;if(!r||!Array.isArray(r))throw new Error(`Spectrum ${t}: missing x-axis data (expected "x", "wavenumbers", or "wavelengths")`);let o=e.y??e.intensities??e.absorbance;if(!o||!Array.isArray(o))throw new Error(`Spectrum ${t}: missing y-axis data (expected "y", "intensities", or "absorbance")`);if(r.length!==o.length)throw new Error(`Spectrum ${t}: x and y arrays must have the same length (got ${r.length} and ${o.length})`);let n=e.label??e.title??e.name??`Spectrum ${t+1}`;return{id:`json-${++Yr}`,label:n,x:new Float64Array(r),y:new Float64Array(o),xUnit:e.xUnit,yUnit:e.yUnit,type:e.type,meta:e.meta}}var Pt=0,se=null,Lt=!1;async function jr(){if(Lt)return se;Lt=!0;try{se=await import("jcampconverter")}catch{se=null}return se}function Ft(e){let t=(e["DATA TYPE"]??e.DATATYPE??"").toLowerCase();return t.includes("infrared")||t.includes("ir")?"IR":t.includes("raman")?"Raman":t.includes("nir")||t.includes("near")?"NIR":t.includes("uv")||t.includes("vis")?"UV-Vis":t.includes("fluor")?"fluorescence":"other"}async function Ge(e){let t=await jr();return t?Gr(e,t):[Kr(e)]}function Gr(e,t){return t.convert(e,{keepRecordsRegExp:/.*/}).flatten.map((o,n)=>{let a=o.spectra?.[0]?.data?.[0];if(!a)throw new Error(`JCAMP block ${n}: no spectral data found`);return{id:`jcamp-${++Pt}`,label:o.info?.TITLE??`Spectrum ${n+1}`,x:new Float64Array(a.x),y:new Float64Array(a.y),xUnit:o.info?.XUNITS??"cm\u207B\xB9",yUnit:o.info?.YUNITS??"Absorbance",type:Ft(o.info),meta:o.info}})}function Kr(e){let t=e.split(/\r?\n/),r={},o=[],n=[],a=!1;for(let s of t){let i=s.trim();if(i.startsWith("##")){let l=i.match(/^##(.+?)=\s*(.*)$/);if(l){let c=l[1].trim().toUpperCase(),u=l[2].trim();if(c==="XYDATA"||c==="XYPOINTS"){a=!0;continue}if(c==="END"){a=!1;continue}r[c]=u}continue}if(a&&i!==""){let l=i.split(/[\s,]+/).map(Number);if(l.length>=2&&!l.some(isNaN)){let c=l[0],u=parseFloat(r.FIRSTX??"0"),p=parseFloat(r.LASTX??"0"),f=parseInt(r.NPOINTS??"0",10);if(f>0&&l.length===2)o.push(l[0]),n.push(l[1]);else if(l.length>1){let m=f>1?(p-u)/(f-1):0;for(let d=1;d<l.length;d++)o.push(c+(d-1)*m),n.push(l[d])}}}}if(o.length===0)throw new Error("Failed to parse JCAMP-DX: no data found. Install jcampconverter for full format support.");return{id:`jcamp-${++Pt}`,label:r.TITLE??"JCAMP Spectrum",x:new Float64Array(o),y:new Float64Array(n),xUnit:r.XUNITS??"cm\u207B\xB9",yUnit:r.YUNITS??"Absorbance",type:Ft(r),meta:r}}function Jr(e){switch(e.toLowerCase().split(".").pop()){case"dx":case"jdx":case"jcamp":return"jcamp";case"csv":case"tsv":case"txt":return"csv";case"json":return"json";default:return null}}function qr(e=[]){let[t,r]=Ke(e),[o,n]=Ke(!1),[a,s]=Ke(null),i=_(async(m,d)=>{n(!0),s(null);try{let g;switch(d){case"jcamp":g=await Ge(m);break;case"csv":g=[We(m)];break;case"json":g=je(m);break}r(y=>[...y,...g])}catch(g){let y=g instanceof Error?g.message:"Failed to parse file";s(y)}finally{n(!1)}},[]),l=_(async m=>{let d=Jr(m.name);if(!d){s(`Unsupported file format: ${m.name}`);return}let g=await m.text();await i(g,d)},[i]),c=_(m=>{r(d=>[...d,m])},[]),u=_(m=>{r(d=>d.filter(g=>g.id!==m))},[]),p=_(m=>{r(d=>d.map(g=>g.id===m?{...g,visible:g.visible===!1}:g))},[]),f=_(()=>{r([]),s(null)},[]);return{spectra:t,loading:o,error:a,loadFile:l,loadText:i,addSpectrum:c,removeSpectrum:u,toggleVisibility:p,clear:f}}import{useCallback as le}from"react";var Dt={solid:"",dashed:"8 4",dotted:"2 2","dash-dot":"8 4 2 4"};function Je(e,t,r,o){let{width:n,height:a,background:s="#ffffff",title:i}=o,l=e.filter(c=>c.visible!==!1).map((c,u)=>{let p=c.color??P(u),f=c.lineStyle??"solid",m=c.lineWidth??1.5,d=Dt[f]??"",g=Math.min(c.x.length,c.y.length);if(g<2)return"";let y=[];for(let b=0;b<g;b++){let x=t(c.x[b]).toFixed(2),S=r(c.y[b]).toFixed(2);y.push(`${b===0?"M":"L"}${x},${S}`)}return`<path d="${y.join(" ")}" fill="none" stroke="${p}" stroke-width="${m}"${d?` stroke-dasharray="${d}"`:""}/>
     <!-- ${c.label} -->`}).filter(Boolean).join(`
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 <svg xmlns="http://www.w3.org/2000/svg" width="${n}" height="${a}" viewBox="0 0 ${n} ${a}">
@@ -8,9 +8,9 @@ import{useCallback as kt,useId as Tr,useMemo as I,useRef as wt,useState as _e}fr
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     ${l}
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-`);le(new Blob([u],{type:"text/csv"}),a)}else{let i=Math.max(...s.map(p=>p.x.length)),l=s.map(p=>`${p.label}_x,${p.label}_y`).join(","),c=[];for(let p=0;p<i;p++){let f=s.map(m=>p<m.x.length?`${m.x[p]},${m.y[p]}`:",");c.push(f.join(","))}let u=l+`
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i=t[s],l=0,c=r-1;for(;l<c-1;){let d=l+c>>>1;a?e.x[d]<=i?l=d:c=d:e.x[d]>=i?l=d:c=d}let u=e.x[l],p=e.x[c],f=e.y[l],m=e.y[c];if(u===p)n[s]=f;else{let d=(i-u)/(p-u);n[s]=f+d*(m-f)}}return{...e,id:`interp-${++J}`,x:new Float64Array(t),y:n}}var Sn=0,vn=1,wn=4,Cn=128,kn={0:"Arbitrary",1:"cm\u207B\xB9",2:"\xB5m",3:"nm",4:"s",5:"min",6:"Hz",7:"kHz",8:"MHz",9:"m/z",10:"Da",11:"ppm",12:"days",13:"years",14:"Raman shift (cm\u207B\xB9)",15:"eV",16:"Text label",255:"Double interferogram"},Rn={0:"Arbitrary",1:"Interferogram",2:"Absorbance",3:"Kubelka-Munk",4:"Counts",5:"V",6:"\xB0",7:"mA",8:"mm",9:"mV",10:"log(1/R)",11:"%",12:"Intensity",13:"Relative intensity",14:"Energy",16:"dB",19:"\xB0C",20:"\xB0F",21:"K",22:"Index of refraction [n]",23:"Extinction coeff. [k]",24:"Real",25:"Imaginary",26:"Complex",128:"Transmittance",129:"Reflectance",130:"Arbitrary (Valley to peak)",131:"Emission"};function Mn(e,t){return e===1?"IR":e===14?"Raman":e===3&&(t===2||t===128)?"UV-Vis":e===2?"NIR":t===131?"fluorescence":"other"}function An(e){let t=new DataView(e);if(e.byteLength<512)throw new Error("Invalid SPC file: too small for SPC header");let o=t.getUint8(0),n=t.getUint8(1);if(n!==75&&n!==77)throw new Error(`Unsupported SPC version: 0x${n.toString(16)}. Expected 0x4B or 0x4D.`);let a=t.getUint8(2),s=t.getUint8(3),i=t.getUint32(4,!0),l=t.getFloat64(8,!0),c=t.getFloat64(16,!0),u=t.getUint32(24,!0),p=kn[a]??"Arbitrary",f=Rn[s]??"Arbitrary",m=new Uint8Array(e,30,130),d=Tn(m),g=(o&wn)!==0,y=(o&Cn)!==0,b=(o&vn)!==0,x=Mn(a,s),S=null;if(!y&&i>0){S=new Float64Array(i);let C=i>1?(c-l)/(i-1):0;for(let R=0;R<i;R++)S[R]=l+R*C}let k=[],h=512,v=null;if(y&&!g){v=new Float64Array(i);for(let C=0;C<i;C++)v[C]=t.getFloat32(h,!0),h+=4}let w=g?u:1;for(let C=0;C<w;C++){let R,A,E=i;if(g){if(h+32>e.byteLength)break;let L=t.getFloat32(h+4,!0),ue=t.getFloat32(h+8,!0);if(E=t.getUint32(h+12,!0)||i,h+=32,y){R=new Float64Array(E);for(let N=0;N<E&&!(h+4>e.byteLength);N++)R[N]=t.getFloat32(h,!0),h+=4}else if(S)R=S;else{R=new Float64Array(E);let N=E>1?(ue-L)/(E-1):0;for(let O=0;O<E;O++)R[O]=L+O*N}}else R=v??S??new Float64Array(0);if(A=new Float64Array(E),b)for(let L=0;L<E&&!(h+2>e.byteLength);L++)A[L]=t.getInt16(h,!0),h+=2;else for(let L=0;L<E&&!(h+4>e.byteLength);L++)A[L]=t.getFloat32(h,!0),h+=4;k.push({id:`spc-${++Sn}`,label:d||`SPC Spectrum ${C+1}`,x:R,y:A,xUnit:p,yUnit:f,type:x,meta:{format:"SPC",version:n===75?"new":"old",xType:a.toString(),yType:s.toString()}})}if(k.length===0)throw new Error("Invalid SPC file: no spectra found");return k}function Tn(e){let t=e.indexOf(0),r=t>=0?e.slice(0,t):e;return new TextDecoder("ascii").decode(r).trim()}export{Le as AnnotationLayer,Y as AxisLayer,Ee as Crosshair,pt as DARK_THEME,$e as DropZone,on as ExportMenu,Ar as KEYBOARD_SHORTCUTS,ut as LIGHT_THEME,Dt as LINE_DASH_PATTERNS,oe as Legend,zr as Minimap,Re as PeakMarkers,Ae as RegionSelector,xe as SPECTRUM_COLORS,Ur as SpectraView,W as SpectrumCanvas,Ne as StackedView,Ue as Toolbar,bn as addSpectra,an as baselineRubberBand,vt as binarySearchClosest,he as computeXExtent,H as computeYExtent,hn as correlationCoefficient,ye as createXScale,X as createYScale,pn as derivative1st,fn as derivative2nd,Xe as detectPeaks,dn as differenceSpectrum,qe as downloadSvg,Be as generateChartDescription,Je as generateSvg,P as getSpectrumColor,z as getThemeColors,xn as interpolateToGrid,Ce as lttbDownsample,ln as normalizeArea,sn as normalizeMinMax,cn as normalizeSNV,We as parseCsv,Wr as parseCsvMulti,Ge as parseJcamp,je as parseJson,An as parseSpc,Mr as prefersReducedMotion,yn as residualSpectrum,gn as scaleSpectrum,mn as smoothSavitzkyGolay,Pe as snapToNearestSpectrum,Qr as useExport,Ze as useKeyboardNavigation,Hr as usePeakPicking,ze as useRegionSelect,Ve as useResizeObserver,qr as useSpectrumData,we as useZoomPan};
 //# sourceMappingURL=index.js.map