Table of Contents

  • Open this section 1. Notices and Trademarks
    • 1.1. Technical Support
    • 1.2. Disclaimer of Warranties and Liabilities
    • 1.3. Trademarks
  • Open this section 2. Introduction
    • 2.1. Running Chenomx NMR Suite
    • 2.2. Software Updates
    • 2.3. Tutorial and Sample Files
  • Open this section 3. Handling Samples and Spectra
    • Open this section 3.1. Sample Preparation
      • Preparing Filter Tubes for Sample Filtration
      • Filtering the Sample through Microcentrifuge Filter Tube
      • Internal Standard Solution
    • Open this section 3.2. Spectral Data Acquisition
      • Pulse Sequences
      • Required NMR Parameters
    • Open this section 3.3. Spectral Data Processing
      • Data Processed with Other Software
  • Open this section 4. Processor
    • 4.1. Overview
    • Open this section 4.2. Information Tools
      • Spectrum Details (Sidebar)
      • Processing History (Sidebar)
      • Calibration Tool
    • Open this section 4.3. Processing Steps
      • First Step: Line Broadening
      • Second Step: Phase Correction
      • Third Step: Baseline Correction
      • Fourth Step: Shim Correction
      • Fifth Step: Calibrate CSI
      • Sixth Step: Send to Profiler
    • Open this section 4.4. Optional Steps
      • Region Deletion
      • Reverse Spectrum
      • Define Custom CSI
      • Calibrate pH
      • Export as JCAMP-DX
  • Open this section 5. Profiler
    • 5.1. Overview
    • Open this section 5.2. Profiling Tools
      • Compound Table
      • Cluster Navigator
      • Enforce Transform Windows
      • Scale Concentrations
      • pH Tool
      • Colors/Stars/Pins/Remember Selection
    • Open this section 5.3. Manual Profiling
      • First Step: Identify Compounds
      • Second Step: Determine Compound Concentrations
      • Third Step: Profile Overlapped Regions in a Spectrum
    • Open this section 5.4. Automatic Profiling using a semi-automated approach
      • First Step: Cluster positioning using Compound Snapper
      • Second Step: Concentration optimization using Fit Concentrations
      • COMPLETE Autofit: fully automated profiling approach
    • Open this section 5.5. Importing and Exporting Data
      • Import Profile
      • Export Profiled Compounds
      • Export Compound Table
      • Batch Export
      • Send to Processor
  • Open this section 6. Library Manager
    • 6.1. Overview
    • Open this section 6.2. Library Tools
      • Compound Table
      • Quick Searches
      • Add Compounds
      • Export Compounds
      • Send to Compound Builder
      • Remove Compounds
      • Update Compounds
    • Open this section 6.3. Compound Set Tools
      • Compound Sets (Sidebar)
      • Automatic Compound Sets
      • Compound Sets
      • Smart Compound Sets
      • Rename Compound Sets
      • Remove Compound Sets
    • Open this section 6.4. Reference Card Editor
      • Required Details
      • Optional Details
    • Open this section 6.5. Information Tools
      • Reference Card Panel (Sidebar)
  • Open this section 7. Batching and Binning (PRO Only)
    • Open this section 7.1. Batching
      • Batch Import
      • Batch Process
      • Batch Edit
      • Batch Fit
    • 7.2. Spectral Binning
  • Open this section 8. Compound Builder (PRO Only)
    • 8.1. Overview
    • Open this section 8.2. Information Tools
      • Compound Details
      • Information Panel
      • Cluster Navigator
    • Open this section 8.3. Build a Compound
      • First Step: Sample Preparation and NMR Acquisition
      • Second Step: Process your Spectrum in Processor
      • Third Step: Import new CNX file into Compound Builder.
      • Fourth Step: Add Peaks, Define Clusters and Optimize Shapes
      • Fifth Step: Set Transform Windows
    • Open this section 8.4. Optional Steps
      • Compound Fit Style
      • Import Simulation
      • Generate Cluster for Region
      • New Compound
      • Manage Cluster IDs
      • pH Sensitivities
  • Open this section 9. Spin Simulator
    • 9.1. Overview
    • Open this section 9.2. Simulating Tools
      • New Simulation
      • Spin Systems
      • Spin Definitions
      • Spin Navigator
      • J-Modifiers
    • Open this section 9.3. Information Tools
      • Spin Definition (Sidebar)
      • Simulation Details
  • Open this section 10. The Basics
    • Open this section 10.1. File Management
      • Open Files
      • Importing Spectra
      • Saving Files
      • Closing Files
      • Undo and Redo
    • Open this section 10.2. Preferences
      • Change Columns
      • Display Options
    • Open this section 10.3. Sidebar
      • Legend
      • Files
      • Reference Cards
      • Quick Searches
      • Spectrum Details
      • Processing History
      • Compound Sets
      • Simulation
    • Open this section 10.4. Spectrum Graph
      • Spectrum Thumbnail
      • Select Region
      • Spectrum Overlays
      • Zoom Tools
      • Export Spectrum Image
      • Copy Spectrum Image to Clipboard
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3.2 Spectral Data Acquisition

For the best results from your analysis with Chenomx NMR Suite, you must acquire high-quality spectra. Pay particular attention to proper shimming, phase correction and baseline correction to produce spectra that you can accurately analyze and interpret using Chenomx NMR Suite.

Pulse Sequences

Using Chenomx NMR Suite, you can quantitatively analyze spectra produced by NOESY pulse sequences with tmix of 100 ms. You can use other pulse sequences for identification purposes, but absolute quantification based on alternate pulse sequences may be unreliable.

Required NMR Parameters

For the best Chenomx NMR Suite analysis results, use the following parameters for NMR data collection:

  • Temperature = 25 °C

  • Acquisition time = 4 s

  • Relaxation delay = 1 s

  • Spectral width = 12 ppm

Tips and Tricks

  • Chenomx NMR Suite can automatically detect DSS or TSP signals in most spectra. However, automatic detection relies on the water peak being centered in the spectrum. For best results, ensure that the water peak is centered in your spectra.


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Chapter 3. Handling Samples and Spectra Home 3.3 Spectral Data Processing
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Last modified: 27 Jun 2023