Unified representation of high- and low-resolution spectra to facilitate application of mass spectrometric techniques in clinical practice.
Clin Mass Spectrom
; 12: 37-46, 2019 Apr.
Article
in En
| MEDLINE
| ID: mdl-34841078
ABSTRACT
The majority of research in the biomedical sciences is carried out with the highest resolution accessible to the scientist, but, in the clinic, cost constraints necessitate the use of low-resolution devices. Here, we compare high- and low-resolution direct mass spectrometry profiling data and propose a simple pre-processing technique that makes high-resolution data suitable for the development of classification and regression techniques applicable to low-resolution data, while retaining high accuracy of analysis. This work demonstrates an approach to de-noising spectra to make the same representation for both high- and low-resolution spectra. This approach uses noise threshold detection based on the Tversky index, which compares spectra with different resolutions, and minimizes the percentage of resolution-specific peaks. The presented method provides an avenue for the development of analytical algorithms using high-resolution mass spectrometry data, while applying these algorithms in the clinic using low-resolution mass spectrometers.
Ambient ionization mass-spectrometry; DESI, desorption electrospray ionization; Data transformation; FWHM, full width at half maximum; ICR, ion cyclotron resonance; Low- and high-resolution comparison; MALDI, matrix assisted laser desorption ionization; NESI, needle electrospray ionization; REIMS, rapid evaporative ionization mass spectrometry; SNR, signal to noise ratio
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Clin Mass Spectrom
Year:
2019
Document type:
Article
Publication country:
HOLANDA
/
HOLLAND
/
NETHERLANDS
/
NL
/
PAISES BAJOS
/
THE NETHERLANDS