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LIMS for Lasers 2015 for achieving long-term accuracy and precision of δ2H, δ17O, and δ18O of waters using laser absorption spectrometry

Tyler B. Coplen·Leonard I Wassenaar
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Abstract

Rationale Although laser absorption spectrometry (LAS) instrumentation is easy to use, its incorporation into laboratory operations is not easy, owing to extensive offline manipulation of comma-separated-values files for outlier detection, between-sample memory correction, nonlinearity ( δ -variation with water amount) correction, drift correction, normalization to VSMOW-SLAP scales, and difficulty in performing long-term QA/QC audits. Methods A Microsoft Access relational-database application, LIMS (Laboratory Information Management System) for Lasers 2015, was developed. It automates LAS data corrections and manages clients, projects, samples, instrument-sample lists, and triple-isotope ( δ 17 O, δ 18 O, and δ 2 H values) instrumental data for liquid-water samples. It enables users to (1) graphically evaluate sample injections for variable water yields and high isotope-delta variance; (2) correct for between-sample carryover, instrumental drift, and δ nonlinearity; and (3) normalize final results to VSMOW-SLAP scales. Results Cost-free LIMS for Lasers 2015 enables users to obtain improved δ 17 O, δ 18 O, and δ 2 H values with liquid-water LAS instruments, even those with under-performing syringes. For example, LAS δ 2 H VSMOW measurements of USGS50 Lake Kyoga (Uganda) water using an under-performing syringe having ±10 % variation in water concentration gave +31.7 ± 1.6 ‰ (2-σ standard deviation), compared with the reference value of +32.8 ± 0.4 ‰, after correction for variation in δ value with water concentration, between-sample memory, and normalization to the VSMOW-SLAP scale. Conclusions LIMS for Lasers 2015 enables users to create systematic, well-founded instrument templates, import δ 2 H, δ 17 O, and δ 18 O results, evaluate performance with automatic graphical plots, correct for δ nonlinearity due to variable water concentration, correct for between-sample memory, adjust for drift, perform VSMOW-SLAP normalization, and perform long-term QA/QC audits easily. Published in 2015. This article is a U.S. Government work and is in the public domain in the USA.

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Tyler B. Coplen, Leonard I Wassenaar. 2015-10-13. LIMS for Lasers 2015 for achieving long-term accuracy and precision of δ2H, δ17O, and δ18O of waters using laser absorption spectrometry. https://doi.org/10.1002/rcm.7372

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