Statistically Coherent Calibration of X-Ray Fluorescence Spectrometry for Major Elements in Rocks and Minerals
We applied both the ordinary linear regression (OLR) and the new uncertainty weighted linear regression (UWLR) models for the calibration and comparison of a XRF machine through 59 geochemical reference materials (GRMs) and a procedure blank sample. The mean concentration and uncertainty data for th...
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| Language: | English |
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Wiley
2018-01-01
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| Series: | Journal of Spectroscopy |
| Online Access: | http://dx.doi.org/10.1155/2018/5837214 |
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| author | Surendra P. Verma Sanjeet K. Verma M. Abdelaly Rivera-Gómez Darío Torres-Sánchez Lorena Díaz-González Alejandra Amezcua-Valdez Beatriz Adriana Rivera-Escoto Mauricio Rosales-Rivera John S. Armstrong-Altrin Héctor López-Loera Fernando Velasco-Tapia Kailasa Pandarinath |
| author_facet | Surendra P. Verma Sanjeet K. Verma M. Abdelaly Rivera-Gómez Darío Torres-Sánchez Lorena Díaz-González Alejandra Amezcua-Valdez Beatriz Adriana Rivera-Escoto Mauricio Rosales-Rivera John S. Armstrong-Altrin Héctor López-Loera Fernando Velasco-Tapia Kailasa Pandarinath |
| author_sort | Surendra P. Verma |
| collection | DOAJ |
| description | We applied both the ordinary linear regression (OLR) and the new uncertainty weighted linear regression (UWLR) models for the calibration and comparison of a XRF machine through 59 geochemical reference materials (GRMs) and a procedure blank sample. The mean concentration and uncertainty data for the GRMs used for the calibrations (Supplementary Materials) (available here) filewere achieved from an up-to-date compilation of chemical data and their processing from well-known discordancy and significance tests. The drift-corrected XRF intensity and its uncertainty were determined from mostly duplicate pressed powder pellets. The comparison of the OLR (linear correlation coefficient r∼0.9523–0.9964 and 0.9771–0.9999, respectively, for before and after matrix correction) and UWLR models (r∼0.9772–0.9976 and 0.9970–0.9999, respectively) clearly showed that the latter with generally higher values of r is preferable for routine calibrations of analytical procedures. Both calibrations were successfully applied to rock matrices, and the results were generally consistent with those obtained in other laboratories although the UWLR model showed mostly narrower confidence limits of the mean (slope and intercept) or lower uncertainties than the OLR. Similar sensitivity (∼2.69–46.17 kc·s−1·%−1 for the OLR and ∼2.78–59.69 kc·s−1·%−1 for the UWLR) also indicated that the UWLR could advantageously replace the OLR model. Another novel aspect is that the total uncertainty can be reported for individual chemical data. If the analytical instruments were routinely calibrated from the UWLR model, this action would make the science of geochemistry more quantitative than at present. |
| format | Article |
| id | doaj-art-77e50682270b46749008ca2cb1ac2cd5 |
| institution | Kabale University |
| issn | 2314-4920 2314-4939 |
| language | English |
| publishDate | 2018-01-01 |
| publisher | Wiley |
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| series | Journal of Spectroscopy |
| spelling | doaj-art-77e50682270b46749008ca2cb1ac2cd52025-02-03T01:28:51ZengWileyJournal of Spectroscopy2314-49202314-49392018-01-01201810.1155/2018/58372145837214Statistically Coherent Calibration of X-Ray Fluorescence Spectrometry for Major Elements in Rocks and MineralsSurendra P. Verma0Sanjeet K. Verma1M. Abdelaly Rivera-Gómez2Darío Torres-Sánchez3Lorena Díaz-González4Alejandra Amezcua-Valdez5Beatriz Adriana Rivera-Escoto6Mauricio Rosales-Rivera7John S. Armstrong-Altrin8Héctor López-Loera9Fernando Velasco-Tapia10Kailasa Pandarinath11Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Temixco, Mor 62580, MexicoDivisión de Geociencias, Instituto Potosino de Investigación en Ciencia y Tecnología, Camino a la Presa San José # 2055, Col. Lomas 4a Sec., San Luis Potosí, SLP 78216, MexicoInstituto de Ciencias del Mar y Limnología, Unidad de Procesos Oceánicos y Costeros, Universidad Nacional Autónoma de México, Circuito Exterior s/n, 04510 CDMX, MexicoPosgrado en Geociencias Aplicadas, Instituto Potosino de Investigación en Ciencia y Tecnología, Camino a la Presa San José # 2055, Col. Lomas 4a Sec., San Luis Potosí, SLP 78216, MexicoCentro de Investigación en Ciencias, Instituto de Investigación en Ciencias Básicas y Aplicadas, Universidad Autónoma del Estado de Morelos, Cuernavaca, Mor 62209, MexicoPosgrado en Ingeniería, Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Temixco, Mor 62580, MexicoDivisión de Materiales Avanzados, Instituto Potosino de Investigación en Ciencia y Tecnología, Camino a la Presa San José # 2055, Col. Lomas 4a Sec., San Luis Potosí, SLP 78216, MexicoDoctorado en Ciencias, Instituto de Investigación en Ciencias Básicas y Aplicadas, Universidad Autónoma del Estado de Morelos, Cuernavaca, Mor 62209, MexicoInstituto de Ciencias del Mar y Limnología, Unidad de Procesos Oceánicos y Costeros, Universidad Nacional Autónoma de México, Circuito Exterior s/n, 04510 CDMX, MexicoDivisión de Geociencias, Instituto Potosino de Investigación en Ciencia y Tecnología, Camino a la Presa San José # 2055, Col. Lomas 4a Sec., San Luis Potosí, SLP 78216, MexicoUniversidad Autónoma de Nuevo León, Facultad de Ciencias de la Tierra, Ex–Hacienda de Guadalupe, Carretera Linares–Cerro Prieto km 8, Linares, N.L. 67700, MexicoInstituto de Energías Renovables, Universidad Nacional Autónoma de México, Temixco, Mor 62580, MexicoWe applied both the ordinary linear regression (OLR) and the new uncertainty weighted linear regression (UWLR) models for the calibration and comparison of a XRF machine through 59 geochemical reference materials (GRMs) and a procedure blank sample. The mean concentration and uncertainty data for the GRMs used for the calibrations (Supplementary Materials) (available here) filewere achieved from an up-to-date compilation of chemical data and their processing from well-known discordancy and significance tests. The drift-corrected XRF intensity and its uncertainty were determined from mostly duplicate pressed powder pellets. The comparison of the OLR (linear correlation coefficient r∼0.9523–0.9964 and 0.9771–0.9999, respectively, for before and after matrix correction) and UWLR models (r∼0.9772–0.9976 and 0.9970–0.9999, respectively) clearly showed that the latter with generally higher values of r is preferable for routine calibrations of analytical procedures. Both calibrations were successfully applied to rock matrices, and the results were generally consistent with those obtained in other laboratories although the UWLR model showed mostly narrower confidence limits of the mean (slope and intercept) or lower uncertainties than the OLR. Similar sensitivity (∼2.69–46.17 kc·s−1·%−1 for the OLR and ∼2.78–59.69 kc·s−1·%−1 for the UWLR) also indicated that the UWLR could advantageously replace the OLR model. Another novel aspect is that the total uncertainty can be reported for individual chemical data. If the analytical instruments were routinely calibrated from the UWLR model, this action would make the science of geochemistry more quantitative than at present.http://dx.doi.org/10.1155/2018/5837214 |
| spellingShingle | Surendra P. Verma Sanjeet K. Verma M. Abdelaly Rivera-Gómez Darío Torres-Sánchez Lorena Díaz-González Alejandra Amezcua-Valdez Beatriz Adriana Rivera-Escoto Mauricio Rosales-Rivera John S. Armstrong-Altrin Héctor López-Loera Fernando Velasco-Tapia Kailasa Pandarinath Statistically Coherent Calibration of X-Ray Fluorescence Spectrometry for Major Elements in Rocks and Minerals Journal of Spectroscopy |
| title | Statistically Coherent Calibration of X-Ray Fluorescence Spectrometry for Major Elements in Rocks and Minerals |
| title_full | Statistically Coherent Calibration of X-Ray Fluorescence Spectrometry for Major Elements in Rocks and Minerals |
| title_fullStr | Statistically Coherent Calibration of X-Ray Fluorescence Spectrometry for Major Elements in Rocks and Minerals |
| title_full_unstemmed | Statistically Coherent Calibration of X-Ray Fluorescence Spectrometry for Major Elements in Rocks and Minerals |
| title_short | Statistically Coherent Calibration of X-Ray Fluorescence Spectrometry for Major Elements in Rocks and Minerals |
| title_sort | statistically coherent calibration of x ray fluorescence spectrometry for major elements in rocks and minerals |
| url | http://dx.doi.org/10.1155/2018/5837214 |
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