Peak Analysis

Origin provides powerful and versatile tools such as Peak Analyzer, Quick Peaks Gadget, Integration Gadget, etc. for baseline correction, peak detection, peak integration and peak fitting.

• Baseline Correction
• Peak Finding/Determination
• Peak Integration
• Peak Fitting PRO
• Surface Peak Analysis PRO
• Time-Saving Peak Analysis Features
• Apps

Origin provides baseline detection and subtraction. Key features include:

• Create baseline with many baseline modes
  • Commonly used baseline types such as Constant, Straight line, Use Existing Dataset, End Points Weighted, Min&Max
  • Automatically find anchor points for baseline, modify the points, create baseline by interpolation or fitting
  • Create baseline for XPS using Shirley or Tougaard method and adjust corresponding parameters to optimize
  • Create baseline using Asymmetric Least Squares (ALS) Smoothing method and adjust corresponding parameters to optimize
• Subtract baseline

Origin allows you to search for peaks including hidden ("convoluted") peaks and filter out unwanted peaks or manually add or remove peaks.

• Savitzky-Golay smoothing on the spectrum before peak finding
• 6 methods for finding peaks:
  • Local Maximum
  • Window Search
  • First Derivative
  • Second Derivative (for hidden peaks)
  • Residual after 1st Derivative (for hidden peaks)
  • Fourier Self Deconvolution PRO

After finding peaks, you can filter out unwanted peaks:

• By peak height
• By number of peaks
• Label peaks with X, Y values or row index

In Origin, you can integrate data with multiple peaks, to obtain peak areas, FWHM and other peak characteristics. Baseline subtraction is supported before peak integration.

Available options include:

• Directly select desired data range on graph
• Instantly view results of peak area and FWHM
• Subtract baseline from peak data
• Auto detect peak positions
• Auto determine peak widths for overlapped peaks
• Individually set peak widths
• Fit peaks and obtain fitted peak areas

Origin provides many tools to perform peak fitting:

• Quick Peaks Gadget  : Visually correct baseline, find and fit peaks
• Multiple Peak Fit: Manually pick peak positions and fit peaks with same function. No baseline correction
• Peak Analyzer: Correct baseline, find peaks and fit by Peak Analyzer wizard
• Nonlinear Curve Fit Dialog: Fit multiple peaks with replicas in the nonlinear curve fit dialog

Available options for peak fitting include:

• Fit peaks with built-in or user-defined functions
• Fit multiple peaks with different functions
• Control fitting process using bounds and constraints
• Fix or share peak parameters
• Vary baseline parameters along with peak fitting

2D Integration GadgetPRO

• Perform surface peak analysis on image or contour plot
• Use ROI object to easily select area of interest
• Subtract base plane, and integrate
• Instantly view surface peak results on graph

With the 2D Integration Gadget, you simply position the region-of-interest (ROI) on a target peak and instantly view surface peak results.

Surface Peak Fitting PRO

• Fit peaks with over 20 built-in functions or a user defined function
• Fit XYZ or matrix data from a worksheet or a graph
• Locate multiple peaks using one of many peak identification methods
• Apply bounds and to parameters, as well as fix desired parameters
• Find specific Z values at specific X, Y values using the fit surface

You can perform surface peak fitting using the Nonlinear Curve Fit tool and overlay a fitted surface of contour lines on the raw data. The detailed surface peak results will be outputted to report sheet.

Batch Peak Analysis Using Theme

Manually analyze a typical dataset in Peak Analyzer, and save your custom settings to a theme file. Analyze multiple datasets using the your saved theme.

With the Batch Peak Analysis tool, you can:

• Run LabTalk Script to skip, filter or manipulate data prior to the analysis
• Save custom settings to a reusable theme file
• Create/Subtract baseline for multiple datasets
• Integrate/Find peaks
• Find and fit multiple peaks in multiple datasets
• Generate a summary report sheet listing dataset names and corresponding peak analysis results

You can save peak analysis settings in Peak Analyzer as a Theme and reuse these settings to batch process other files or datasets. You can also pre-process your peak data using LabTalk scripts in the Batch Peak Analysis dialog.

Analyze Multiple Curves Using Gadget

Batch peak analysis is also available with the Quick Peaks Gadget:

• Visually perform analysis on region of interest (ROI)
• Easily switch peak function
• Subtract baseline for peak integration
• Quick analyze all curves in current graph layer or page
• Save settings as theme for repeat use

With Quick Peaks Gadget, you can use an existing curve as baseline and quickly output the analysis results for all curves in current graph.