The FTNMR FID Archive is a World-Wide Web (WWW) resource at Pacific Lutheran University containing high field proton and carbon FTNMR data for more than 120 small organic compounds. The universal resource locator (URL) for the FTNMR FID Archive is http://www.chem.plu.edu/fid_archive.html. The FTNMR FID Archive can also be accessed through CIRRUS, the Chemistry Internet Resource for Research by Undergraduate Students (1). Using a WWW browser such as Netscape or Mosaic, data from the FTNMR FID Archive can be downloaded to a local computer for processing with an off-line NMR data analysis program. Thanks to advances in desktop computer hardware and development of user-friendly NMR applications for personal computers, both one-dimensional and two-dimensional NMR data sets can readily be processed on the desk top.

Spectra in the FTNMR FID Archive are stored in unprocessed free induction decay form so that local manipulation of the raw data is allowed. Thus, one can readily tailor the data-processing and viewing parameters so as to generate the usual frequency spectrum according to one's own needs. Also, since the data are in FID form, students can learn the mechanics of processing and manipulating raw FTNMR data, just as if the data were obtained by them directly from a spectrometer. Both proton and carbon NMR data are provided in the Archive, including attached proton test (APT) spectra and some selected two-dimensional data sets (e.g. COSY and T1 inversion recovery). The one-dimensional FID data sets in the Archive are about 135K in size, making it reasonable to download them over a modem line. The two-dimensional data sets in the Archive are sufficiently large (512K to 1M) that use of high-speed data transfer protocols such as ethernet is recommended. Anonymous ftp access to the FID Archive files at ftp.chem.plu.edu is also available.

Advantages of using FTNMR FID Archive include the fact that students can learn FTNMR data processing in hands-on fashion. Data manipulations such as the application of window functions, Fourier transformation, phase correction, and integration can be varied at will so that students learn the effects and applications of various processing parameters. Another advantage is that spectra can be processed for educational presentation using whatever unique specifications an individual user desires. Thus, while NMR spectra are available in hard-copy format in various textbooks and library resources, the FTNMR FID Archive allows individuals to customize scale expansions, integrals, and other display and processing parameters for their own pedagogical use. Spectra processed to suit the user can be imported into other software applications or utilized as visual aids. Instructors can use NMR data from the Archive for on-line spectroscopy assignments, generation of class and laboratory exercises, and preparation of examination questions. Students can incorporate data from the Archive in reports while concurrently gaining practice in processing NMR data.

At present, the majority of NMR data in the Archive consist of one-dimensional spectra. As the FID Archive grows, however, more two-dimensional (2-D) NMR data sets will be added to those already available. These data sets should prove especially useful for teaching 2-D NMR processing, since computerized teaching resources for 2-D NMR are less readily available.

Data in the FTNMR FID Archive are provided in the format of two popular off-line NMR data processing programs: NUTS (Acorn NMR) and Felix (Biosym Technologies, Inc.).2 NUTS is available for both IBM-compatible and Macintosh computers. Felix is available for IBM-compatible and UNIX platforms. As a courtesy to potential users of the FTNMR FID Archive, hypertext links are provided in the Archive for information on the two software packages. (The FTNMR FID Archive has no affiliation with either company.) Since the FTNMR Archive is intended to be a growing resource, submission of FID data from individuals is welcome so long as the data can be imported into both Felix and NUTS (which is the case for data from most FTNMR spectrometers). Prospective contributors should contact the Archive administrators using the "Suggestion Box" link in the FTNMR FID Archive web pages.

In conclusion, the FTNMR FID Archive provides a valuable supplement to existing hard-copy and computerized tools for teaching NMR spectroscopy. Although textbooks are increasingly incorporating data from FTNMR spectrometers (2) and various software tutorial programs are available for teaching interpretation of NMR data,3 the FTNMR FID Archive now presents an instantly accessible on-line resource useful for practice in processing and manipulating a variety of both one-dimensional and two-dimensional FTNMR FID data. The URL for the FTNMR FID Archive is http://www.chem.plu.edu/fid_archive.html.

Acknowledgment

Development of the FTNMR FID Archive and associated computer hardware was supported through a grant from the National Science Foundation (BIR-9414026).

Notes

1. The FTNMR FID Archive web pages and the data in the Archive are copyrighted by Pacific Lutheran University. The data are provided free for individual educational use so long as they are not redistributed and Pacific Lutheran University is acknowledged as the source and owner of the data.

2. PCNMR is another desktop NMR processing program available from JCE Software. An accompanying set of NMR data is also available. (J. Chem. Educ. Software 1994, SP-7. Abstracted in: J. Chem. Educ. 1994, 71,558­559.)

3. For example, "Spectral Interpretation" (Trinity Software); "SpectraBook" and "SpectraDeck" (by Falcon Software).

Literature Cited

1. Waldow, D. A.; Fryhle, C. B.; Bock, J. C. J. Chem. Educ. 1997, 74, 441.

2. For example, Solomons, T. W. G. Organic Chemistry, 6th ed.; John Wiley and Sons: New York, 1995.