scholarly journals Orbitool: a software tool for analyzing online Orbitrap mass spectrometry data

2021 ◽  
Vol 14 (3) ◽  
pp. 2377-2387
Author(s):  
Runlong Cai ◽  
Yihao Li ◽  
Yohann Clément ◽  
Dandan Li ◽  
Clément Dubois ◽  
...  
Keyword(s):  
Gas Phase ◽  
Software Tool ◽  
Mass Accuracy ◽  
Resolving Power ◽  
Mass Spectrometry Data ◽  
Phase Measurements ◽  
Atmospheric Sciences ◽  
Average Mass ◽  
Mass Resolving Power

Abstract. The Orbitrap mass spectrometer has recently been proved to be a powerful instrument to accurately measure gas-phase and particle-phase organic compounds with a greater mass resolving power than other widely used online mass spectrometers in atmospheric sciences. We develop an open-source software tool (Orbitool, https://orbitrap.catalyse.cnrs.fr, last access: 4 February 2021) to facilitate the analysis of long-term online Orbitrap data. Orbitool can average long-term data while improving the mass accuracy by re-calibrating each mass spectrum, assign molecular formulae of compounds and their isotopes to measured signals, and export time series and mass defect plots. The noise reduction procedure in Orbitool can separate signal peaks from noise and reduce the computational and storage expenses. Chemical ionization Orbitrap data from laboratory experiments on ozonolysis of monoterpenes and ambient measurements in urban Shanghai were used to test Orbitool. For the test dataset, the average mass accuracy was improved from <2 to <0.5 ppm by mass calibrating each spectrum. The denoising procedure removed 97 % of the noise peaks from a spectrum averaged for 30 min while maintaining the signal peaks, substantially helping the automatic assignment of unknown species. To illustrate the capabilities of Orbitool, we used the most challenging and complex dataset we have collected so far, which consists of ambient gas-phase measurements in urban Shanghai. These tests showed that Orbitool was able to automatically assign hundreds of molecular formulae as well as their isotopes with high accuracy.

scholarly journals Orbitool: A software tool for analyzing online Orbitrap mass spectrometry data

2020 ◽  
Author(s):  
Runlong Cai ◽  
Yihao Li ◽  
Yohann Clément ◽  
Dandan Li ◽  
Clément Dubois ◽  
...  
Keyword(s):  
Software Tool ◽  
Mass Accuracy ◽  
Resolving Power ◽  
Mass Spectrometry Data ◽  
Chemical Compositions ◽  
Mass Spectrometers ◽  
Atmospheric Sciences ◽  
Average Mass ◽  
Mass Resolving Power

Abstract. The Orbitrap mass spectrometer has recently been proved to be a powerful instrument to accurately measure gas-phase and particle-phase organic compounds with a greater mass resolving power than other widely-used online mass spectrometers in atmospheric sciences. We develop an open-source software tool (Orbitool, https://orbitrap.catalyse.cnrs.fr) to facilitate the analysis of long-term online Orbitrap data. Orbitool can average long-term data while maintaining the mass accuracy by re-calibrating each mass spectrum, identify chemical compositions and isotopes of measured signals, and export time series and mass defect plots. The noise reduction procedure in Orbitool can separate signal peaks from noise and greatly reduce the computational and storage expenses. Chemical-ionization Orbitrap data from laboratory experiments on ozonolysis of monoterpenes and ambient measurements in urban Shanghai were used to successfully test Orbitool. For the test dataset, the average mass accuracy was improved from

scholarly journals High mass accuracy and high mass resolving power FT-ICR secondary ion mass spectrometry for biological tissue imaging

2013 ◽  
Vol 405 (18) ◽  
pp. 6069-6076 ◽  
Author(s):  
Donald F. Smith ◽  
Andras Kiss ◽  
Franklin E. Leach ◽  
Errol W. Robinson ◽  
Ljiljana Paša-Tolić ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Secondary Ion Mass Spectrometry ◽  
Mass Accuracy ◽  
Resolving Power ◽  
Tissue Imaging ◽  
High Mass ◽  
High Mass Accuracy ◽  
Mass Resolving Power ◽  
Secondary Ion ◽  
Ft Icr

scholarly journals C60 Secondary Ion FT-ICR Mass Spectrometry: High Mass Resolving Power and High Mass Accuracy SIMS

2013 ◽  
Vol 19 (S2) ◽  
pp. 660-661
Author(s):  
L. Pasa-Tolic ◽  
D.F. Smith ◽  
F.E. Leach ◽  
E.W. Robinson ◽  
R.M. Heeren
Keyword(s):  
Mass Spectrometry ◽  
Mass Accuracy ◽  
Resolving Power ◽  
High Mass ◽  
High Mass Accuracy ◽  
Mass Resolving Power ◽  
Secondary Ion ◽  
Ft Icr

Extended abstract of a paper presented at Microscopy and Microanalysis 2013 in Indianapolis, Indiana, USA, August 4 – August 8, 2013.

scholarly journals Ultra-High Mass Resolving Power, Mass Accuracy, and Dynamic Range MALDI Mass Spectrometry Imaging by 21-T FT-ICR MS

2020 ◽  
Vol 92 (4) ◽  
pp. 3133-3142 ◽  
Author(s):  
Andrew P. Bowman ◽  
Greg T. Blakney ◽  
Christopher L. Hendrickson ◽  
Shane R. Ellis ◽  
Ron M. A. Heeren ◽  
...  
Keyword(s):  
Mass Spectrometry Imaging ◽  
Dynamic Range ◽  
Maldi Mass Spectrometry ◽  
Mass Accuracy ◽  
Resolving Power ◽  
High Mass ◽  
Mass Resolving Power ◽  
Ft Icr Ms ◽  
Maldi Mass Spectrometry Imaging ◽  
Ft Icr

Calculation of the Ion Optical Properties of Inhomogeneous Magnetic Sector Fields Part 3: Oblique Incidence and Exit at Curved Boundaries

1959 ◽  
Vol 14 (9) ◽  
pp. 822-827 ◽  
Author(s):  
H. A. Tasman ◽  
A. J. H. Boerboom ◽  
H. Wachsmuth
Keyword(s):  
Oblique Incidence ◽  
Normal Incidence ◽  
Second Order ◽  
Resolving Power ◽  
High Mass ◽  
Curved Boundaries ◽  
Magnetic Sector ◽  
Mass Resolving Power ◽  
Mass Dispersion ◽  
Fringing Fields

In previous papers 1.2we presented the radial second order imaging properties of inhomogeneous magnetic sector fields with normal incidence and exit at plane boundaries. These fields may provide very high mass resolving power and mass dispersion without increase in radius or decrease of slit widths. In the present paper the calculations are extended to include the effect of oblique incidence and exit at curved boundaries. The influence of the fringing fields on axial focusing when the boundaries are oblique, is accounted for. It is shown that the second order angular aberration may Le eliminated by appropriate curvature of the boundaries.

Numerical analysis of trajectories in a Cassinian ion trap of second order with trap door ion inlet

2021 ◽  
Vol 27 (1) ◽  
pp. 3-12
Author(s):  
Bjoern Raupers ◽  
Hana Medhat ◽  
Juergen Grotemeyer ◽  
Frank Gunzer
Keyword(s):  
Ion Trap ◽  
Ion Traps ◽  
Second Order ◽  
Resolving Power ◽  
Periodic Pattern ◽  
Ion Motion ◽  
Trap Door ◽  
Mass Resolving Power ◽  
Long Time ◽  
The Fourier Transform

Ion traps like the Orbitrap are well known mass analyzers with very high resolving power. This resolving power is achieved with help of ions orbiting around an inner electrode for long time, in general up to a few seconds, since the mass signal is obtained by calculating the Fourier Transform of the induced signal caused by the ion motion. A similar principle is applied in the Cassinian Ion Trap of second order, where the ions move in a periodic pattern in-between two inner electrodes. The Cassinian ion trap has the potential to offer mass resolving power comparable to the Orbitrap with advantages regarding the experimental implementation. In this paper we have investigated the details of the ion motion analyzing experimental data and the results of different numerical methods, with focus on increasing the resolving power by increasing the oscillation frequency for ions in a high field ion trap. In this context the influence of the trap door, a tunnel through which the ions are injected into the trap, on the ion velocity becomes especially important.

scholarly journals ESA’s X-Ray Astronomy Mission, XMM

1990 ◽  
Vol 123 ◽  
pp. 129-140
Author(s):  
B.G. Taylor ◽  
A. Peacock
Keyword(s):  
Resolving Power ◽  
Science Program ◽  
Eccentric Orbit ◽  
Ccd Cameras ◽  
Optical Telescope ◽  
X Ray ◽  
Medium Resolution ◽  
Reflection Gratings ◽  
Better Than

AbstractESA’s X-ray Astronomy Mission, XMM, scheduled for launch in 1998, is the second of four cornerstones of ESA’s long term science program Horizon 2000. Covering the range from about 0.1 to 10 keV, it will provide a high throughput of 5000 cm2 at 7 keV with three independant telescopes, and have a spatial resolution better than 30 arcsec. Broadband spectrophotometry is provided by CCD cameras while reflection gratings provide medium resolution spectroscopy (resolving power of about 400) in the range 0.3–3 keV. Long uninterrupted observations will be made from the 24 hr period, highly eccentric orbit, reaching a sensitivity approaching 10−15 erg cm−2 s−1 in one orbit. A 30 cm UV/optical telescope is bore-sighted with the x-ray telescopes to provide simultaneous optical counterparts to the numerous serendipitous X-ray sources which will be detected during every observation.

On the Field Evaporation Behavior of a Model Ni-Al-Cr Superalloy Studied by Picosecond Pulsed-Laser Atom-Probe Tomography

2008 ◽  
Vol 14 (6) ◽  
pp. 571-580 ◽  
Author(s):  
Yang Zhou ◽  
Christopher Booth-Morrison ◽  
David N. Seidman
Keyword(s):  
Atom Probe Tomography ◽  
Mass Spectra ◽  
Pulsed Laser ◽  
Picosecond Laser ◽  
Atom Probe ◽  
Resolving Power ◽  
Noise Levels ◽  
Thermally Activated ◽  
Mass Resolving Power

AbstractThe effects of varying the pulse energy of a picosecond laser used in the pulsed-laser atom-probe (PLAP) tomography of an as-quenched Ni-6.5 Al-9.5 Cr at.% alloy are assessed based on the quality of the mass spectra and the compositional accuracy of the technique. Compared to pulsed-voltage atom-probe tomography, PLAP tomography improves mass resolving power, decreases noise levels, and improves compositional accuracy. Experimental evidence suggests that Ni2+, Al2+, and Cr2+ ions are formed primarily by a thermally activated evaporation process, and not by post-ionization of the ions in the 1+ charge state. An analysis of the detected noise levels reveals that for properly chosen instrument parameters, there is no significant steady-state heating of the Ni-6.5 Al-9.5 Cr at.% tips during PLAP tomography.

Understanding of Capping Effects on the Tip Shape Evolution and on the Atom Probe Data of Bulk LaAlO3 Using Transmission Electron Microscopy

2017 ◽  
Vol 23 (2) ◽  
pp. 329-335 ◽  
Author(s):  
Chang-Min Kwak ◽  
Young-Tae Kim ◽  
Chan-Gyung Park ◽  
Jae-Bok Seol
Keyword(s):  
Electron Microscopy ◽  
Transmission Electron Microscopy ◽  
Atom Probe ◽  
Resolving Power ◽  
Shape Evolution ◽  
Oxide Materials ◽  
Field Evaporation ◽  
Laser Illumination ◽  
Transmission Electron ◽  
Mass Resolving Power

AbstractTwo challenges exist in laser-assisted atom probe tomography (APT). First, a drastic decline in mass-resolving power is caused, not only by laser-induced thermal effects on the APT tips of bulk oxide materials, but also the associated asymmetric evaporation behavior; second, the field evaporation mechanisms of bulk oxide tips under laser illumination are still unclear due to the complex relations between laser pulse and oxide materials. In this study, both phenomena were investigated by depositing Ni- and Co-capping layers onto the bulk LaAlO3 tips, and using stepwise APT analysis with transmission electron microscopy (TEM) observation of the tip shapes. By employing the metallic capping, the heating at the surface of the oxide tips during APT analysis became more symmetrical, thereby enabling a high mass-resolving power in the mass spectrum. In addition, the stepwise microscopy technique visualized tip shape evolution during APT analysis, thereby accounting for evaporation sequences at the tip surface. The combination of “capping” and “stepwise APT with TEM,” is applicable to any nonconductors; it provides a direct observation of tip shape evolution, allows determination of the field evaporation strength of oxides, and facilitates understanding of the effects of ultrafast laser illumination on an oxide tip.

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