Table of Contents

  • Notices and Trademarks
  • Open this section 1. Introduction
    • Open this section 1.1. Installing Chenomx NMR Suite
      • Windows (64-bit)
      • Windows (32-bit)
      • Mac OS X
      • Linux (64-bit)
      • Linux (32-bit)
    • 1.2. Running Chenomx NMR Suite
    • 1.3. Software Updates
    • 1.4. Tutorial and Sample Files
  • Open this section 2. Handling Samples and Spectra
    • Open this section 2.1. Sample Preparation
      • Preparing Filter Tubes for Sample Filtration
      • Filtering the Sample through Microcentrifuge Filter Tube
      • Internal Standard Solution
    • Open this section 2.2. Spectral Data Acquisition
      • Pulse Sequences
      • Required NMR Parameters
    • Open this section 2.3. Spectral Data Processing
      • Data Processed with Other Software
  • Open this section 3. Common Tasks
    • 3.1. Processing a Spectrum
    • 3.2. Profiling a Spectrum
    • 3.3. Identifying Compounds
    • 3.4. Profiling Overlapped Regions in a Spectrum
    • 3.5. Determining Compound Concentrations
  • Open this section 4. The Basics
    • 4.1. Opening Files
    • 4.2. Importing Spectra
    • 4.3. Saving Files
    • 4.4. Closing Files
    • 4.5. Exiting Modules
    • 4.6. Undo and Redo
    • 4.7. Change Columns
    • Open this section 4.8. Sidebar
      • Legend
      • Files
      • Reference Cards
      • Spectrum Details
      • Processing History
      • Compound Sets
      • Simulation
    • 4.9. Spectrum Overlays
    • Open this section 4.10. Spectrum Graph Tools
      • Show Entire Spectrum
      • Set Zoom
      • Undo/Redo Zoom
      • Auto Zoom
      • Increase/Decrease Vertical Zoom
      • Increase/Decrease Horizontal Zoom
      • Spectrum Graph
      • Spectrum Thumbnail
      • Select Region
    • 4.11. Export Spectrum Image
    • 4.12. Copy Spectrum Image to Clipboard
    • 4.13. Display Options
    • 4.14. Preferences
  • Open this section 5. Processor
    • 5.1. Overview
    • Open this section 5.2. Processing Tools
      • Line Broadening
      • Phase Correction
      • Baseline Correction
      • Shim Correction
      • Region Deletion
      • Reverse Spectrum
      • Batch Process
    • Open this section 5.3. Calibration Tools
      • Calibrate CSI
      • Define Custom CSI
      • Calibrate pH
      • Calibration Tool
    • Open this section 5.4. Information Tools
      • Spectrum Details (Sidebar)
      • Processing History (Sidebar)
    • Open this section 5.5. Importing and Exporting Data
      • Batch Import
      • Send to Profiler
      • Export as JCAMP-DX
  • Open this section 6. Profiler
    • 6.1. Overview
    • Open this section 6.2. Profiling Tools
      • Compound Table
      • Custom Colors
      • Pinned Compounds
      • Starred Compounds
      • Remember Selection
      • Quick Searches
      • Concentrations and Compound Fits
      • Fit Automatically
      • Concentration Fitting and Optimization Tool
      • Enforce Transform Windows
      • Scale Concentrations
      • Batch Edit
      • pH Tool
      • Compound Snapper
      • Batch Fit
    • 6.3. Cluster Navigator
    • Open this section 6.4. Compound Set Tools
      • Compound Sets (Sidebar)
    • Open this section 6.5. Importing and Exporting Data
      • Batch Export
      • Export Compound Table
      • Export Profiled Compounds
      • Import Profile
      • Send to Processor
    • 6.6. Spectral Binning
    • Open this section 6.7. Information Tools
      • Legend (Sidebar)
      • Reference Card Panel (Sidebar)
      • Spectrum Details (Sidebar)
      • Concentration Units
  • Open this section 7. Spin Simulator
    • 7.1. Overview
    • Open this section 7.2. Simulating Tools
      • New Simulation
      • Spin Systems
      • Spin Definitions
      • Spin Navigator
      • J-Modifiers
    • Open this section 7.3. Information Tools
      • Spin Definition (Sidebar)
      • Simulation Details
  • Open this section 8. Compound Builder
    • 8.1. Overview
    • Open this section 8.2. Building Tools
      • New Compound
      • Import Simulation
      • Adding Peaks
      • Selecting Peaks and Clusters
      • Delete Selected Peaks
      • Adjusting Peaks
      • Grouping Peaks as a Cluster
      • Optimize Selected Peak Shapes
      • Generate Cluster for Region
      • Transform Windows
      • pH Sensitivities
      • Manage Cluster IDs
      • Cluster Navigator
    • Open this section 8.3. Information Tools
      • Reference Card Panel (Sidebar)
      • Compound Details
      • Information Panel
    • 8.4. Compound Fit Style
  • Open this section 9. Library Manager
    • 9.1. Overview
    • Open this section 9.2. Library Tools
      • Compound Table
      • Quick Searches
      • Add Compounds
      • Export Compounds
      • Send to Compound Builder
      • Remove Compounds
      • Update Compounds
    • Open this section 9.3. Compound Set Tools
      • Compound Sets (Sidebar)
      • Automatic Compound Sets
      • Compound Sets
      • Smart Compound Sets
      • Rename Compound Sets
      • Remove Compound Sets
    • Open this section 9.4. Reference Card Editor
      • Required Details
      • Optional Details
    • Open this section 9.5. Information Tools
      • Reference Card Panel (Sidebar)
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Chapter 3. Common Tasks

Chenomx NMR Suite can help you to perform many useful tasks. You can find overviews of some common tasks in this chapter. Detailed descriptions of each function mentioned here appear in later chapters.

3.1 Processing a Spectrum

Before you analyze or otherwise use a spectrum in Chenomx NMR Suite, you need to process it.

To process a spectrum in Processor

  1. Open the spectrum (see “Opening Files” and “Importing Spectra”). If necessary, reverse the spectrum plot in the frequency domain. Reversing is only necessary for some Bruker spectra (see “Reverse Spectrum”).

  2. (Optional) Apply line broadening to improve the signal-to-noise ratio (see “Line Broadening”).

  3. Adjust the phase correction (see “Phase Correction”) as needed.

  4. Apply baseline correction (see “Baseline Correction”) as needed.

  5. (Optional) Apply shim correction to correct lineshape distortions (see “Shim Correction”).

  6. (Optional) Delete the solvent peak from the spectrum (see “Region Deletion”).

    Region deletion may not be necessary or desirable for all samples.

  7. Define the CSI parameters (see “Calibrate CSI”).

  8. Determine the sample pH using imidazole, creatinine or DFTMP (see “Calibrate pH”).

  9. Save the spectrum (see “Saving Files”), or jump to Profiler (see Chapter 6, Profiler) to continue with your analysis.


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2.3 Spectral Data Processing Home 3.2 Profiling a Spectrum
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Last modified: 30 Jun 2021