Zitieren Sie bitte immer diesen URN: urn:nbn:de:kobv:b43-434346
Reading Between the Lines – Automated Data Analysis for Low-Field NMR Spectra
- For reaction monitoring using NMR instruments, in particular, after acquisition of the FID the data needs to be corrected in real-time for common effects using automated methods. When it comes to NMR data evaluation under industrial process conditions, the shape of signals can change drastically due to nonlinear effects. However, the structural and quantitative information is still present but needs to be extracted by applying predictive models. Acquired raw spectra were processed with the following tools: · Phase correction using the Entropy minimization method · Baseline correction using a low-order Polynomial fit · Alignment (icoshift) Pure component models based on Pseudo-Voigt functions can be derived via peak fitting of measured pure components or by the use of spin calculations.
Autor*innen: | Lukas WanderORCiD |
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Weitere Person: | Simon KernORCiD, Svetlana Guhl, Klas MeyerORCiD, Andrea PaulORCiD, Michael MaiwaldORCiD |
Dokumenttyp: | Posterpräsentation |
Veröffentlichungsform: | Präsentation |
Sprache: | Englisch |
Jahr der Erstveröffentlichung: | 2017 |
Veröffentlichende Institution: | Bundesanstalt für Materialforschung und -prüfung (BAM) |
DDC-Klassifikation: | Naturwissenschaften und Mathematik / Chemie / Analytische Chemie |
Freie Schlagwörter: | CONSENS; Indirect Hard Modeling; Online NMR Spectroscopy; Process Analytical Technology; Process Monitoring; Spectral Modeling |
Veranstaltung: | Tackling the Future of Plant Operation - Jointly towards a Digital Process Industry |
Veranstaltungsort: | Barcelona, Spain |
Beginndatum der Veranstaltung: | 13.12.2017 |
Enddatum der Veranstaltung: | 14.12.2017 |
URN: | urn:nbn:de:kobv:b43-434346 |
Verfügbarkeit des Dokuments: | Datei für die Öffentlichkeit verfügbar ("Open Access") |
Lizenz (Deutsch): | ![]() |
Datum der Freischaltung: | 18.12.2017 |
Referierte Publikation: | Nein |
Schriftenreihen ohne Nummerierung: | BAM Präsentationen |