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OriginLab Corporation - Data Analysis and Graphing Software - 2D graphs, 3D graphs, Contour Plots, Statistical Charts, Data Exploration, Statistics, Curve Fitting, Signal Processing, and Peak Analysis      

Origin for Spectroscopy

Several Origin features are useful for Spectroscopy. From specialized import options to tools specifically designed for efficient peak and baseline analysis, Origin offers full-fledged support for those who use spectroscopy, chromatography and related techniques:

Importing Spectral Data     Video Tutorial: Importing Data

Typical file types for spectroscopy are supported in File > Import

Origin's many ASCII import options streamlines the importing of common instrument formats :

  • Thermo Scientific (SPC,CGM)
  • J-CAMP (DX, DX1, JDX, JCM)
  • Princeton Instruments (SPE)

Workbook Organizer panel shows workbook metadata

When importing data, Origin provides options to transfer metadata contained in the file's header lines directly into worksheet header rows, and access all metadata in the workbook organizer panel.

Spectroscopy Plot Types

  • Stack Graph
  • Stacked Lines by Y Offsets Graph
  • 2D Graph with Insert Graph
  • 2D, 3D Waterfall Graph

Analyzing Spectra

Origin's Peak Analyzer enables full characterization of single and multiple peaks. Peak finding capabilities include hidden peak detection, and multiple datasets may be analyzed independently or with shared parameters. When the parameters for the peak analysis have been set, you can save your settings as a theme for repeat use. Once a theme is saved, simply import new data, and the analysis completes automatically.

Establishing a Baseline

A typical starting point for peak analysis is establishing a baseline.?You can auto-detect a baseline or manually define one using an existing dataset or by selecting anchor points on the curve.

Various methods we offer including:

  • User Defined
  • XPS
    • Shirley method
    • Tougaard method
  • End Points Weighted
  • Asymmetric Least Squares Smoothing (ALS)


Finding Peaks

Origin provides multiple methods to find positive and negative peaks automatically.

  • Local Maximum
  • Window Search
  • 1st Derivative
  • 2nd Derivative(Pro)
  • Residual after 1st Derivative(Pro)

Also, you are allowed to Add, Modify or Delete Peaks manually.


Peak Fitting and Deconvolution

Peak Fitting

  • Fitting peaks with built-in or user-defined Function
  • Fitting each peak with different functions
  • Controlling fit parameters

Origin provides a Batch Peak Analysis tool that allows peak analysis on multiple datasets.


Peak Deconvolution
             -- fit the hidden peaks

Peak Deconvolution is applied to the process of decomposing peaks that overlap with each other.

Find the hidden peaks methods:

  • 2nd Derivative(Pro)
  • Residual after 1st Derivative(Pro)


Batch Peak Analysis PRO   

With Batch Peak Analysis tool, OriginPro can handle many datasets, each containing multiple peaks.

  • Perform batch peak fitting using a pre-defined theme, an Analysis Template or script.

  • Output a custom report of peak parameters for each peaks in each dataset.

Useful Gadgets for Spectral Analysis

Origin gadgets provide a quick and easy way to perform exploratory analysis on data plotted in a graph. You can perform the analysis on a specific range of the data plot by appropriately positioning a region-of-interest (ROI) object to select the desired range.

With the following gadgets, you can quickly find peaks, integrate peaks and fit peaks in a graph.

  • Integrate Gadget
  • Quick Peaks Gadget     Video Tutorial: Importing Data


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