Adapting Raman Spectra from Laboratory Spectrometers to Portable Detection Libraries

@article{Weatherall2013AdaptingRS,
  title={Adapting Raman Spectra from Laboratory Spectrometers to Portable Detection Libraries},
  author={James C. Weatherall and Jeffrey Barber and Carolyn S. Brauer and Timothy J Johnson and Yin-Fong Su and Christopher D. Ball and Barry T. Smith and Rick Cox and Roberta J. Steinke and Patricia McDaniel and Lou Wasserzug},
  journal={Applied Spectroscopy},
  year={2013},
  volume={67},
  pages={149 - 157}
}
Raman spectral data collected with high-resolution laboratory spectrometers are processed into a format suitable for importing as a user library on a 1064 nm DeltaNu first generation, field-deployable spectrometer prototype. The two laboratory systems used are a 1064 nm Bruker Fourier transform (FT)-Raman spectrometer and a 785 nm Kaiser dispersive spectrometer. The steps taken to adapt for device-dependent spectral resolution, wavenumber shifts between instruments, and relative intensity… 

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References

SHOWING 1-10 OF 33 REFERENCES
Routine Wavenumber Calibration of an FT-Raman Spectrometer
A readily automated procedure for testing and calibrating the wavenumber shift scale of an FT-Raman spectrometer is described. The procedure uses atomic lines as wavenumber standards. An apodization
Standardization of Raman spectra for transfer of spectral libraries across different instruments.
TLDR
A procedure that combines previously established Raman shift and intensity correction protocols with a resolution matching step to facilitate the comparison of a centralized master library with spectra acquired on different geographically distributed Raman spectrometers is outlined.
Demonstrated Wavelength Portability of Raman Reference Data for Explosives and Chemical Detection
As Raman spectroscopy continues to evolve, questions arise as to the portability of Raman data: dispersive versus Fourier transform, wavelength calibration, intensity calibration, and in particular
Photometric Standards for Raman Spectroscopy
Correction of Raman spectra for instrument response to produce a spectrum with reliable relative peak intensities is not commonly performed, in part because of experimental difficulty and lack of
Changes in Raman Spectra Due to Near-IR Excitation
We have found that, in shifting from visible to near-IR excitation of Raman spectra, some unexpected spectral changes can occur for some materials. In preparing to purchase a Fourier transform (FT)
Evaluation of an accurate calibration and spectral standardization procedure for Raman spectroscopy.
TLDR
A complete calibration protocol (wavelength and intensity) is described and the procedure for both short and long term stability is evaluated, by means of 60 randomly selected measurement sessions spread over a period of nine months.
Relative Intensity Correction of Raman Spectrometers: NIST SRMs 2241 through 2243 for 785 nm, 532 nm, and 488 nm/514.5 nm Excitation
Standard Reference Materials® SRMs 2241 through 2243 are certified spectroscopic standards intended for the correction of the relative intensity of Raman spectra obtained with instruments employing
Requirements for Relative Intensity Correction of Raman Spectra Obtained by Column-Summing Charge-Coupled Device Data
TLDR
Magnitudes of distortions that can arise when intensity-correcting spectra obtained with CCD data where rows in a column are summed are estimated by modeling different cases.
...
...