NMR tubes, NMR Testing Services | NuMega Resonance Labs NMR tubes, NMR Testing Services | NuMega Resonance Labs

Reporting of Data for NMR

Full spectrum (10 to -0.5 ppm H-1, or 200 to 0 ppm C-13), and expansions with integration and peak-picking are sent to you as a PDF within 24 hours for routine analysis. Chemical shift for H-1 is calibrated with solvents, DMSO =2.50, CDCl3 = 7.26, CD3OD= 3.31, etc. For samples without deuterium lock signal, we use an insert with deuterium signal or we acquire spectrum without locking. For C-13 and P-31, 85% of phosphoric acid (0 ppm) is externally used for P-31 calibration. TMS (0 ppm) is used externally for C-13 chemical shift calibration in D2O. Data is stored in the computer system for at least two weeks and older data files are permanently stored on a backup drive. FID files are available upon request.

NMR Report

Formal reports and analytical certificates are available upon request. The formal report includes the instrument conditions, optimized parameters with pulse sequences, table of chemical shifts with multiplicity, and chemical shift assignments.

Reporting of Data for Mass Spectrometry

Spectra of both positive and negative ionization are sent via email. We normally scan 300-500 amu with the molecular ion near the center of the spectrum unless otherwise specified.

Precision & Accuracy: 0.1%

Reporting of Data for Elemental Analysis

Sample ID, C%, H%, N%, and S% are listed and emailed upon completion of the experiment.

Precision & Accuracy: 0.3% for each element. Several blank and calibration runs are performed to establish reproducibility and stability of the instrument. Duplicate runs are recommended.

Reporting of Data for Optical Rotation

Sample ID, optical rotation, concentration, temperature, and light sources are all included in sample report.

Our standard operating procedure is to run 10 scans on your compound and average them to ensure the most accurate measurement.

Precision & Accuracy: +/-0.002° (up to 1°) or +/- 0.2% for comparison value.

Security of Your Data at NuMega

We handle all data obtained in the strictest confidence. All data is backed up on external drives and will not be sold or shared with other companies. You have ownership of your data.

Examples of Data Reporting using Sucrose

Example of NMR Report for Sucrose