Checking and Improving Calibration of Raman Spectra using Chemometric Approaches
-
Thomas Dörfer
Abstract
A wavenumber and intensity calibration procedure of Raman spectra by using chemometric techniques is presented. This approach allows the fine tuning of calibration parameters and routines with the final goal to eliminate setup dependent differences within experimentally recorded Raman spectra. This seems to be necessary since more and more Raman databases are needed for different analytical tasks, like identification of minerals or bacteria. Minimizing the impact of the applied experimental Raman setup on the reference (database stored) Raman spectra allows the databases to be enlarged very easily by feeding the database with Raman spectra recorded with different setups. Furthermore the chemometric analysis performance increases due to the larger number and better quality of reference spectra.
© by Oldenbourg Wissenschaftsverlag, München, Germany
Artikel in diesem Heft
- Preface – The Many Facets of Raman Spectroscopy
- Vibrational Spectroscopic Studies of Germanium-High Bismuthate Glasses and Vitroceramics
- SERS Study and DFT Simulation of the Interaction of Cytosine with Copper Electrode
- Precise Analysis of Small Wavenumber Shift of Pyridine on Dilution with H2O and D2O Using RDS Technique
- Deep UV Resonance Raman Spectroscopy with a Tunable 4 kHz Nanosecond Solid-State Laser and a 1 mL Circulating Free-Flow System
- Interference Effects in Vibronic 2D-Spectra of Diatomic Molecules
- Threshold Photoelectron Spectrum of Isolated NTCDA
- Study of Hydrogen Bonding Patterns of a Pharmaceutically Active Drug Molecule Paraldehyde: a Raman and DFT Study
- Femtosecond Coherence Spectroscopic Study of the Onset of Chemical Denaturation of Myoglobin upon Addition of Minor Amounts of Urea
- Checking and Improving Calibration of Raman Spectra using Chemometric Approaches
- The Influence of Short-Day Photoperiods on Bone Composition of Hamsters: a Raman Spectroscopic Investigation
- Shell-Isolated Nanoparticle-Enhanced Raman Spectroscopy (SHINERS) Based on Gold-Core Silica-Shell Nanorods
- Fourier Transform Raman and DFT Study of Blue Shift C–H Stretching Vibration of Diazines on Hydrogen Bond Formation
Artikel in diesem Heft
- Preface – The Many Facets of Raman Spectroscopy
- Vibrational Spectroscopic Studies of Germanium-High Bismuthate Glasses and Vitroceramics
- SERS Study and DFT Simulation of the Interaction of Cytosine with Copper Electrode
- Precise Analysis of Small Wavenumber Shift of Pyridine on Dilution with H2O and D2O Using RDS Technique
- Deep UV Resonance Raman Spectroscopy with a Tunable 4 kHz Nanosecond Solid-State Laser and a 1 mL Circulating Free-Flow System
- Interference Effects in Vibronic 2D-Spectra of Diatomic Molecules
- Threshold Photoelectron Spectrum of Isolated NTCDA
- Study of Hydrogen Bonding Patterns of a Pharmaceutically Active Drug Molecule Paraldehyde: a Raman and DFT Study
- Femtosecond Coherence Spectroscopic Study of the Onset of Chemical Denaturation of Myoglobin upon Addition of Minor Amounts of Urea
- Checking and Improving Calibration of Raman Spectra using Chemometric Approaches
- The Influence of Short-Day Photoperiods on Bone Composition of Hamsters: a Raman Spectroscopic Investigation
- Shell-Isolated Nanoparticle-Enhanced Raman Spectroscopy (SHINERS) Based on Gold-Core Silica-Shell Nanorods
- Fourier Transform Raman and DFT Study of Blue Shift C–H Stretching Vibration of Diazines on Hydrogen Bond Formation
