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 in PDF format usually within 24 hours for routine analysis (H-1 and P-31 NMR). 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 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 in pdf format via email. We normally scan ± 150 amu of the expected sample mass for 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 in pdf format 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. Our machine is calibrated using a glucose solution to ensure reliable measurements.

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.

Examples of Data Reporting using Sucrose

Example of NMR Report for Sucrose