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Cengraph Documentation & User Manual

Master high-performance spectroscopic processing, automated baseline fitting, vector canvas layout, and publication-ready 1200 DPI export with step-by-step guides.

โšก Quick Topic Navigation

๐Ÿ“š Comprehensive Feature Manual (12 Guides)

01 ๐Ÿ–ฅ๏ธ Workspace Overview & UI Navigation
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Cengraph features an intuitive, high-density dark workspace engineered specifically for scientific spectroscopy. The interface consists of five core regions: Main Menu Bar, Data Explorer Panel (left), Vector Canvas Engine (center), Analysis & Style Inspector (right), and Real-Time Coordinates Toolbar (bottom).

๐Ÿ“Œ Step-by-Step Instructions
  1. Launch Cengraph to load your persistent dark workspace preset (#09090B deep obsidian background).
  2. Toggle sidebars using Ctrl + B (Data Explorer) or Ctrl + Shift + I (Inspector) to maximize plot canvas area.
  3. Drag panel divider splitters to resize tree views, spectrum lists, and spectrum inspection properties.
  4. Use the Top Toolbar for quick access to peak inspection, pan/zoom, vector annotation, and figure export tools.
โš™๏ธ Workspace Panels Reference
Panel Name Default Position Function & Capability Shortcut
Data Explorer Left Sidebar Displays imported spectrum files, color swatches, active layers, and multi-file series. Ctrl + B
Vector Canvas Center Workspace 60 FPS GPU-accelerated canvas supporting single, stacked, and multi-artboard layouts. Mouse Drag
Style Inspector Right Sidebar Adjusts line widths, stroke colors, axis tick marks, font sizes, and legend properties. Ctrl + Shift + I
Status Toolbar Bottom Footer Displays real-time cursor coordinates (Wavenumber cmโปยน, Intensity a.u., Delta values). Automatic
๐Ÿ’ก Pro Tip: Double-click any axis title or plot tick mark directly on the canvas to open its instant context editor overlay.
Primary Hotkeys: Ctrl + B (Toggle Sidebar) | F11 (Fullscreen Dark Workspace)
02 ๐Ÿ“‚ Importing Data & Spectral Grouping
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Cengraph features a universal multi-vendor file reader that automatically parses raw spectroscopic files from Renishaw, Horiba, Thermo Fisher, Bruker, Ocean Optics, and custom laboratory instruments.

๐Ÿ“Œ Step-by-Step Instructions
  1. Click File > Open Data or press Ctrl + O. Alternatively, drag and drop files onto the active canvas.
  2. Supported file extensions include .txt, .csv, .wdf (Renishaw), .labspec (Horiba), and .dat.
  3. In the Import Dialog, Cengraph automatically detects delimiters (Tab, Comma, Space, Semicolon) and header text offsets.
  4. Enable “Auto-Group by Prefix/Directory” to group multi-sample spectral series into unified color-coded datasets.
โš™๏ธ File Parser Specifications
Format Extension Instrument Vendor Header Auto-Detect Multi-Column Support
.txt / .csv Generic ASCII / Custom Lab Automatic Line Detection Multi-Y Spectrum Matrices
.wdf Renishaw WiRE Spectroscopy Native Binary Importer Maps & Depth Profiles
.labspec Horiba LabSpec 5 / 6 Native Spectrum Archive Multi-Laser Datasets
.dat Ocean Optics / Bruker OPUS ASCII Header Auto-Skip Single & Multi-Trace
๐Ÿ’ก Pro Tip: Hold Shift while dragging multiple files onto the canvas to load them directly into a single stacked waterfall artboard.
Primary Hotkeys: Ctrl + O (Open Data) | Ctrl + Shift + I (Batch Import)
03 ๐Ÿ’พ Recent Projects & Native .cgph Sessions
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Cengraph utilizes .cgph (Cengraph Project History), a native high-performance binary session archive that preserves raw data, baseline models, fitted peaks, canvas annotations, and custom theme presets without analytical precision loss.

๐Ÿ“Œ Step-by-Step Instructions
  1. Save your workspace session by clicking File > Save Project (.cgph) or pressing Ctrl + S.
  2. Access recent projects directly from the Start Hub welcome screen or File > Recent Projects.
  3. .cgph archives store full 64-bit floating-point spectral data without truncation, preserving exact baseline and peak fits.
  4. Automatic session locking protects against duplicate open windows and accidental file overwrites across desktop sessions.
โš™๏ธ Session Archive Features
Feature Property Saved Data & State Precision Level
Raw & Processed Data Raw spectra, subtracted baselines, smoothed curves, 2nd derivatives. 64-bit Float (IEEE 754)
Canvas Layout Multi-artboard positions, zoom levels, grid configurations. Pixel-exact SVG state
Annotations LaTeX text boxes, callout arrows, peak markers, shapes. Vector Geometry
๐Ÿ’ก Pro Tip: Use File > Export Project Package to bundle your raw data files alongside the .cgph session archive for seamless sharing with academic co-authors.
Primary Hotkeys: Ctrl + S (Save Project) | Ctrl + Shift + S (Save As)
04 ๐Ÿ“‰ Asymmetric Least Squares (AsLS) Baseline Correction
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Background fluorescence and matrix interference are automatically removed using the Whittaker-Eilers Asymmetric Least Squares (AsLS) baseline estimation algorithm.

๐Ÿ“Œ Step-by-Step Instructions
  1. Select target spectrum and open Analysis > Baseline Correction > AsLS or press Ctrl + Shift + B.
  2. Adjust Smoothness Penalty (ฮป): Higher values (e.g., 10โต – 10โท) generate stiffer, smoother baselines; lower values follow minor curvature.
  3. Adjust Asymmetry Factor (p): Values between 0.001 and 0.05 ensure baseline strictly bounds signal troughs without clipping peak tops.
  4. View real-time baseline preview superimposed on your spectrum before clicking Apply Subtraction.
โš™๏ธ Algorithm Parameter Reference
Parameter Typical Range Analytical Impact Recommended Default
Penalty (ฮป) 10ยฒ to 10โน Controls baseline curvature rigidity. Higher = smoother curve. 10โต (Raman / FTIR)
Asymmetry (p) 0.0001 to 0.1 Weights positive vs negative residuals. Lower = below peaks. 0.01
Iterations 10 to 50 Maximum calculation cycles for mathematical convergence. 20 cycles
๐Ÿ’ก Pro Tip: Save optimized AsLS parameters as a named preset to apply identical baseline correction across hundreds of batch spectra with a single click.
Primary Hotkey: Ctrl + Shift + B (Open AsLS Baseline Panel)
05 ๐ŸŒŠ Savitzky-Golay Noise Reduction & Derivatives
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Savitzky-Golay filtering removes high-frequency experimental noise using localized polynomial least-squares regression, preserving peak amplitude, location, and spectral linewidths.

๐Ÿ“Œ Step-by-Step Instructions
  1. Open Analysis > Noise Reduction > Savitzky-Golay or press Ctrl + Shift + G.
  2. Set Polynomial Order (k): Typically set to 2 or 3 to preserve peak shape without over-fitting noise.
  3. Set Frame Window Size (m): Must be an odd number (e.g., 7, 11, 15, 21 points). Broader windows increase smoothing strength.
  4. Select Derivative Order: 0 for standard smoothing, 1st Derivative for slope analysis, or 2nd Derivative for resolving overlapping doublet peaks.
โš™๏ธ Filter Configurations
Setting Valid Input Effect on Signal Default Value
Polynomial Order (k) 2, 3, 4, 5 Higher orders fit sharp peak maxima more accurately. 3
Window Length (m) Odd Integers (5-51) Controls smoothing span. Larger window = stronger noise reduction. 11 points
Derivative Mode 0, 1st, 2nd, 3rd Calculates numerical derivatives for overlapping peak identification. 0 (Smoothing)
๐Ÿ’ก Pro Tip: Use 2nd derivative mode with SG smoothing to pinpoint hidden shoulder peaks prior to multi-peak deconvolution fitting.
Primary Hotkey: Ctrl + Shift + G (Open Savitzky-Golay Panel)
06 ๐Ÿ“Š Normalization Methods (SNV, Min-Max, Vector, Area)
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Standardize intensity scales across varying sample thicknesses, laser powers, and acquisition integration times for accurate sample-to-sample comparison.

๐Ÿ“Œ Step-by-Step Instructions
  1. Highlight single or multiple spectra in the Data Explorer list.
  2. Navigate to Analysis > Normalization or press Ctrl + Shift + N.
  3. Select from four scientific normalization algorithms:
    • Min-Max [0, 1]: Rescales intensity so minimum is 0 and peak maximum is 1.0.
    • Vector / Euclidean Norm: Divides intensity vector by its L2 norm (โˆšโˆ‘Yยฒ = 1).
    • SNV (Standard Normal Variate): Subtracts mean and divides by standard deviation (ฮผ=0, ฯƒ=1).
    • Peak Area Normalization: Normalizes total integrated spectral area under curve to 1.0.
  4. Click Apply Normalization to update all selected plot traces simultaneously.
โš™๏ธ Normalization Logic Reference
Method Mathematical Formula Best Applied For
Min-Max [0, 1] Y_norm = (Y - Y_min) / (Y_max - Y_min) Visual amplitude comparison of relative peak heights.
Vector (L2) Y_norm = Y / โˆš(โˆ‘ Yยฒ) Chemometric pre-treatment for PCA and classification models.
SNV Y_norm = (Y - ฮผ) / ฯƒ Removing scatter artifacts in solid powders and rough surfaces.
Area Norm Y_norm = Y / โˆซ Y dx Quantitative concentration and component fraction analysis.
๐Ÿ’ก Pro Tip: Apply SNV normalization prior to spectral library matching for scatter-independent material identification.
Primary Hotkey: Ctrl + Shift + N (Open Normalization Panel)
07 ๐Ÿ“ Multi-Artboard Canvas & Stacked Multi-Panel Grids
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Design publication-ready multi-figure layouts with independent or linked axes, stacked waterfall displays, and multi-panel comparison matrices within a single workspace.

๐Ÿ“Œ Step-by-Step Instructions
  1. Click Canvas > Add Artboard or press Ctrl + Shift + A.
  2. Select layout arrangement: Single Artboard, Stacked Vertical (Waterfall), 2×2 Grid, or Multi-Panel Row.
  3. Drag spectra from the Data Explorer onto specific artboard subpanels.
  4. Toggle Synchronize X-Axis Zoom to navigate wavenumber ranges across all subpanels simultaneously.
โš™๏ธ Artboard Layout Modes
Layout Mode Description Axis Alignment Max Subpanels
Single Artboard Classic single plot view with overlay traces. Shared X & Y Unlimited Traces
Stacked Waterfall Vertical Y-offset stacking of spectral series. Shared X, Shifted Y 50 Traces
2×2 Matrix Four-panel figure layout for comparative studies. Linked or Independent 4 Subpanels
Multi-Column Row Side-by-side subplot row for multi-technique data. Independent X & Y 6 Subpanels
๐Ÿ’ก Pro Tip: Use Y-offset stacking (15-20% shift) on a single artboard to display temperature-dependent or time-series spectral trends cleanly.
Primary Hotkeys: Ctrl + Shift + A (Add Artboard) | Ctrl + Shift + L (Link Axes)
08 ๐Ÿท๏ธ Draggable Legends & Interactive Canvas Labels
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Cengraph legend boxes are fully interactive vector components that can be placed anywhere on the canvas with drag-and-drop precision and styled to match journal requirements.

๐Ÿ“Œ Step-by-Step Instructions
  1. Click and drag the legend box anywhere across your active vector artboard.
  2. Double-click the legend to open the Legend Property Editor dialog.
  3. Customize legend title, sample label names, line stroke swatches, font size, and background opacity.
  4. Toggle legend border line, shadow blur, or transparent glassmorphic background fill.
โš™๏ธ Legend Styling Options
Property Options Journal Preset
Positioning Free Drag-and-Drop, Top-Right, Top-Left, Outside Panel Margin Outside Top-Right
Columns 1, 2, 3, or 4 Horizontal Columns Single Column Vertical
Frame Style Solid White, Dark Glass, Borderless Transparent Borderless Transparent
Font Family Inter, JetBrains Mono, Times New Roman, Arial, Helvetica Times New Roman / Inter
๐Ÿ’ก Pro Tip: Drag legend outside the main plot area into a dedicated margin space for clutter-free publication figures.
Interaction: Double-Click Legend Box on Canvas
09 โœ๏ธ Smart Vector Annotations & LaTeX Math Rendering
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Add publication-quality callouts, peak indicators, chemical formulas, structural arrows, and LaTeX math typography directly onto the vector plot layer.

๐Ÿ“Œ Step-by-Step Instructions
  1. Select an annotation tool from the top toolbar: Peak Callout, Vertical Marker Line, Arrow, Rectangle, or LaTeX Text.
  2. Click on a specific spectral peak to anchor the annotation directly to data coordinates (Wavenumber, Intensity).
  3. Double-click text box to enter labels with integrated LaTeX formatting (e.g., $\nu_{1}(A_{1g})$ or $\text{cm}^{-1}$).
  4. Customize line dash styles (Solid, Dashed, Dotted), arrow head styles, and color accents in the Style Inspector.
โš™๏ธ Annotation Tool Suite
Tool Name Icon / Shortcut Coordinate Anchor Type LaTeX Math Capable
Text Label T Data Anchor (cmโปยน, Intensity) Yes (Full MathJax/LaTeX)
Peak Marker Line L X-Axis Wavenumber Lock Yes (Peak Value Tag)
Callout Arrow A 2-Point Vector Line Yes (Callout Text)
Region Shade Box R X1 to X2 Range Box Yes (Band Name Tag)
๐Ÿ’ก Pro Tip: Use Data Anchored annotations so text labels and peak markers stay locked to exact wavenumber coordinates when zooming into specific spectral bands.
Primary Hotkeys: T (Text) | L (Line) | P (Peak Marker)
10 ๐ŸŽฏ Live Peak Analyzer & Deconvolution Engine
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Fit complex overlapping spectral envelopes using non-linear least-squares peak deconvolution with Gaussian, Lorentzian, and Voigt band profiles.

๐Ÿ“Œ Step-by-Step Instructions
  1. Highlight region of interest on your spectrum using Shift + Click & Drag.
  2. Open Analysis > Peak Analyzer / Deconvolution or press Ctrl + Shift + P.
  3. Click Auto-Detect Peaks or double-click peak maxima to position initial peak seeds.
  4. Choose line shape profile (Gaussian, Lorentzian, or Pseudo-Voigt) and click Run Deconvolution.
โš™๏ธ Fitting Algorithm Specifications
Profile Function Physical Basis Calculated Output Parameters
Gaussian Band Inhomogeneous broadening (Doppler, instrumental resolution) Center (cmโปยน), Peak Height, FWHM, Area %
Lorentzian Band Homogeneous broadening (Finite state lifetime) Center (cmโปยน), Peak Height, FWHM, Area %
Pseudo-Voigt Combined Gaussian-Lorentzian convolution Center (cmโปยน), Height, FWHM, Area %, Shape (ฮท)
๐Ÿ’ก Pro Tip: Export peak fitting results directly as a CSV summary table containing integrated area percentages and FWHM values for statistical reporting.
Primary Hotkey: Ctrl + Shift + P (Peak Analyzer Panel)
11 ๐Ÿ–ผ๏ธ Exporting Publication Figures (1200 DPI, SVG, PDF)
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Generate ultra-high resolution vector and raster figures customized to target journal publisher standards (Nature, ACS, RSC, Elsevier, Wiley).

๐Ÿ“Œ Step-by-Step Instructions
  1. Click File > Export Figure or press Ctrl + E.
  2. Select output format:
    • SVG: Scalable Vector Graphics for Adobe Illustrator / Inkscape editing.
    • PDF: Vector PDF with embedded fonts for direct manuscript submission.
    • PNG / TIFF: High-density raster images at 300, 600, or 1200 DPI.
  3. Choose publication physical dimension preset: Single Column (89 mm) or Double Column (183 mm).
  4. Click Export Figure to render your publication-ready graphic instantly.
โš™๏ธ Export Specifications
Export Format Resolution / DPI Color Space Target Publisher
SVG (Vector) Infinite Scalable sRGB / CMYK Adobe Illustrator / Inkscape
PDF (Vector) Vector Geometry Embedded Fonts Direct Manuscript Submission
PNG (Raster) 300, 600, 1200 DPI RGB Alpha Trans. Nature, ACS, RSC, Elsevier
๐Ÿ’ก Pro Tip: Use SVG export to maintain lossless infinite scaling and full vector layer editability in graphic design software.
Primary Hotkey: Ctrl + E (Export Figure Dialog)
12 โŒจ๏ธ Multi-Tab Session Management & Keyboard Shortcuts
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Maximize laboratory workflow speed with multi-tab project navigation and comprehensive zero-mouse hotkey shortcuts.

๐Ÿ“Œ Step-by-Step Instructions
  1. Work on multiple active spectral projects simultaneously across tabbed project views.
  2. Switch tabs using Ctrl + Tab or Ctrl + Shift + Tab.
  3. Memorize core hotkeys for data loading, processing, baseline fitting, and figure export.
  4. Customize shortcut mappings via Preferences > Keyboard Shortcuts.
โš™๏ธ Full Keyboard Shortcut Matrix
Action Command Shortcut Key Context Scope
Open Data File Ctrl + O Global Workspace
Save Project Session Ctrl + S Active Session
Export Publication Figure Ctrl + E Active Canvas
AsLS Baseline Panel Ctrl + Shift + B Spectral Analysis
Savitzky-Golay Panel Ctrl + Shift + G Spectral Processing
Normalization Panel Ctrl + Shift + N Data Matrix
Live Peak Analyzer Ctrl + Shift + P Deconvolution
Toggle Sidebars Ctrl + B UI Layout
Reset Zoom / Fit Canvas Ctrl + 0 Vector Canvas
Fullscreen Mode F11 Display Mode
๐Ÿ’ก Pro Tip: Press Ctrl + Shift + ? anytime inside Cengraph to display the interactive quick-reference hotkey overlay.
Primary Hotkey: Ctrl + Shift + ? (Show Hotkey Reference Map)
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