Stable Isotope Reference Laboratory

Excel Spreadsheet for calculating isotopic abundances and δ2H, δ17O, δ18O values of water mixtures

Isotopic abundances and delta-values of water mixtures can be calculated for up to 10 waters of different isotopic compositions. Five of these constituents may consist of isotopically enriched water samples and tremendously facilitate mixing calculations. The spreadsheet is implemented in Microsoft Excel and was thoroughly tested and validated.

http://www.rug.nl/research/isotope-research/water-isotope-calculation-tool/water-isotope-calculation-tool

Related publications:

V. Faghihi, H.A.J Meijer, M. Gröning: A thoroughly validated spreadsheet for calculating isotopic abundances (2H, 17O, 18O) for mixtures of waters with different isotopic compositions. Rapid Communications in Mass Spectrometry (accepted for publication 2015)

V. Faghihi, B. M. A. A. Verstappen-Dumoulin, H. G. Jansen, G. van Dijk, A. T. Aerts-Bijma, E. R. T. Kerstel, M. Gröning and H. A. J. Meijer (2015): A new high-quality set of singly (2H) and doubly (2H and 18O) stable isotope labeled reference waters for biomedical and other isotope-labeled research. Rapid Communications in Mass Spectrometry, Volume 29, Issue 4, 28 February 2015, Pages: 311–321. Free download under: http://onlinelibrary.wiley.com/doi/10.1002/rcm.7108/epdf


Simple Stable Isotope Calibration Template

CalibTemplate – Zipped Excel Workbook, containing a calibration template for copy&paste of corrected raw data to perform a calibration, normalization and uncertainty calculation for measured water stable isotope data (δ2H and δ18O)


Water Stable Isotope Calibration Program SICalib (version 2.16)

SICalib Program – Water Stable Isotope Calibration Program SICalib (version 2.16f) is a macro based Microsoft Excel spreadsheet program to evaluate raw data of water stable isotope measurements (δ2H and δ18O) as produced by a variety of instruments of different manufacturers. The main aim is to use consistent algorithms for data evaluation including corrections of memory and drift effects, for calibration and normalization and for calculation of combined standard uncertainty of all individual measurement results. The program was tested under different MS Excel versions from 2000 to 2016. Directly supported raw data formats include those produced by Thermo Finnigan ISODAT NT and 1.6 (for dual inlet mass spectrometry and water/gas equilibration), by Elementar/Isoprime MassLynx (continuous flow mass spectrometry and pyrolysis), and those by infrared laser spectroscopy based systems from manufacturers LGR and Picarro. Other providers’ raw data can be imported by use of a generic file format in which data can be copied to from other manufacturer’s data files.

Major changes in version 2.16 include the calculation of the combined standard uncertainty for the mean values as derived from all individual sample measurements.

The zipped file SICalib216.zip (10.7MB) contains all necessary files, which should be unzipped to any directory of choice on a harddisk, network or USB-Drive. The data evaluation can be started by opening the main file SICalib.xls in MS Excel and choosing the appropriate import routine. Example files are included. A PDF-manual is included.

Other zipped files contain screen shot video sequences with audio comments explaining details of program features and the evaluation process. These videos are available in two formats, once as Flash video files (*.swf), and as executable files (*.exe) being self-playing compressed video files.

SICalib-Videos1(swf) – Several video files in Shortwave flash format, each containing a largely compressed screenshot video & audio sequence to explain basic features of SICalib (41MB).
SICalib-Videos1(exe) – Several videos as executable files, each containing a largely compressed screenshot video & audio sequence to explain basic features of SICalib (39MB).

SICalib-Videos2(swf) - - Two more video files in Shortwave flash format, each containing a largely compressed screenshot video & audio sequence to explain the use of Generic Import for SICalib (26MB).
SICalib-Videos2(exe) - Two more videos as executable files, each containing a largely compressed screenshot video & audio sequence to explain the use of Generic Import for SICalib (25MB).

Old Program versions: V2.14 (as published in 2011): link

Related publications:

M. Gröning (2011): Improved water δ2H and δ18O calibration and calculation of measurement uncertainty using a simple software tool. Rapid Communications in Mass Spectrometry 2011, 25: 2711-2720, doi: 10.1002/rcm.5074

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