TY - GEN A1 - Liehr, Sascha T1 - ANNforPAT - Artificial Neural Networks for Process Analytical Technology N2 - This code accompanies the paper "Artificial neural networks for quantitative online NMR spectroscopy" published in Analytical and Bioanalytical Chemistry (2020). KW - Artificial neural networks KW - Automation KW - Online NMR spectroscopy KW - Process industry KW - Real-time process monitoring PY - 2020 UR - https://github.com/BAMresearch/ANNforPAT PB - GitHub CY - San Francisco AN - OPUS4-54481 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Léonard, Fabien T1 - Overview of XCT data processing workflow for ammonium nitrate prills quantitative analysis N2 - This video presents the data processing workflow that was developed to perform the quantitative structural and morphological analysis of ammonium nitrate prills by x-ray computed tomography. KW - ANFO KW - Data processing KW - Explosives KW - Porosity KW - Surface area KW - XCT PY - 2020 DO - https://doi.org/10.5281/zenodo.3611339 PB - Zenodo CY - Geneva AN - OPUS4-51897 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Kern, Simon A1 - Liehr, Sascha A1 - Wander, Lukas A1 - Bornemann-Pfeiffer, Martin A1 - Müller, S. A1 - Maiwald, Michael A1 - Kowarik, Stefan T1 - Training data of quantitative online NMR spectroscopy for artificial neural networks N2 - Data set of low-field NMR spectra of continuous synthesis of nitro-4’-methyldiphenylamine (MNDPA). 1H spectra (43 MHz) were recorded as single scans. Two different approaches for the generation of artificial neural networks training data for the prediction of reactant concentrations were used: (i) Training data based on combinations of measured pure component spectra and (ii) Training data based on a spectral model. Synthetic low-field NMR spectra First 4 columns in MAT-files represent component areas of each reactant within the synthetic mixture spectrum. Xi (“pure component spectra dataset”) Xii (“spectral model dataset”) Experimental low-field NMR spectra from MNDPA-Synthesis This data set represents low-field NMR-spectra recorded during continuous synthesis of nitro-4’-methyldiphenylamine (MNDPA). Reference values from high-field NMR results are included. KW - NMR spectroscopy KW - Real-time process monitoring KW - Artificial neural networks KW - Online NMR spectroscopy KW - Automation KW - Process industry PY - 2020 DO - https://doi.org/10.5281/zenodo.3677139 PB - Zenodo CY - Geneva AN - OPUS4-50456 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -