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Various calibration procedures result in optimal standardization of routinely used 25(OH)D ID-LC-MS/MS methods.

ABSTRACT: The variety of LC-MS/MS methods measuring total 25(OH)D used today is vast and the comparability among these methods is still not well assessed.Here, we performed a comparison in samples of healthy donors between the currently routinely used 25(OH)D LC-MS/MS methods in the Netherlands and the Ghent University reference measurement procedure to address this issue (n=40). Additionally, an interlaboratory comparison in patient serum samples assessed agreement between the Dutch diagnostic methods (n=37).The overall correlation of the routine methods for 25(OH)D3 with the reference measurement procedures and with the mean of all diagnostic methods was excellent (r>0.993 and r>0.989, respectively). Three out of five methods aligned perfectly with both the reference measurement procedure and the median of all methods. One of the routine methods showed a small positive bias, while another showed a small negative bias consistently in both comparisons.The biases most probably originated from differences in calibration procedure and may be obviated by reassessing calibration of stock standards and/or calibrator matrices. In conclusion, five diagnostic centers have performed a comparison with the 25(OH)D Ghent University reference measurement procedure in healthy donor serum samples and a comparison among themselves in patient serum samples. Both analyses showed a high correlation and specificity of the routine LC-MS/MS methods, yet did reveal some small standardization issues that could not be traced back to the technical details of the different methods. Hence, this study indicates various calibration procedures can result in perfect alignment.

SUBMITTER: Dirks NF

PROVIDER: S-EPMC5703036 | biostudies-literature | 2016 Nov

REPOSITORIES: biostudies-literature

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Various calibration procedures result in optimal standardization of routinely used 25(OH)D ID-LC-MS/MS methods.

Dirks Niek F NF Vesper Hubert W HW van Herwaarden Antonius E AE van den Ouweland Jody M W JM Kema Ido P IP Krabbe Johannes G JG Heijboer Annemieke C AC

Clinica chimica acta; international journal of clinical chemistry 20160825

<h4>Background</h4>The variety of LC-MS/MS methods measuring total 25(OH)D used today is vast and the comparability among these methods is still not well assessed.<h4>Methods</h4>Here, we performed a comparison in samples of healthy donors between the currently routinely used 25(OH)D LC-MS/MS methods in the Netherlands and the Ghent University reference measurement procedure to address this issue (n=40). Additionally, an interlaboratory comparison in patient serum samples assessed agreement betw ...[more]

PMID: 27570062

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Project description:Liquid chromatography coupled to mass spectrometry (LC-MS) has become a prominent tool for the analysis of complex proteomics and metabolomics samples. In many applications multiple LC-MS measurements need to be compared, e. g. to improve reliability or to combine results from different samples in a statistical comparative analysis. As in all physical experiments, LC-MS data are affected by uncertainties, and variability of retention time is encountered in all data sets. It is therefore necessary to estimate and correct the underlying distortions of the retention time axis to search for corresponding compounds in different samples. To this end, a variety of so-called LC-MS map alignment algorithms have been developed during the last four years. Most of these approaches are well documented, but they are usually evaluated on very specific samples only. So far, no publication has been assessing different alignment algorithms using a standard LC-MS sample along with commonly used quality criteria.We propose two LC-MS proteomics as well as two LC-MS metabolomics data sets that represent typical alignment scenarios. Furthermore, we introduce a new quality measure for the evaluation of LC-MS alignment algorithms. Using the four data sets to compare six freely available alignment algorithms proposed for the alignment of metabolomics and proteomics LC-MS measurements, we found significant differences with respect to alignment quality, running time, and usability in general.The multitude of available alignment methods necessitates the generation of standard data sets and quality measures that allow users as well as developers to benchmark and compare their map alignment tools on a fair basis. Our study represents a first step in this direction. Currently, the installation and evaluation of the "correct" parameter settings can be quite a time-consuming task, and the success of a particular method is still highly dependent on the experience of the user. Therefore, we propose to continue and extend this type of study to a community-wide competition. All data as well as our evaluation scripts are available at http://msbi.ipb-halle.de/msbi/caap.

Dataset Information

Various calibration procedures result in optimal standardization of routinely used 25(OH)D ID-LC-MS/MS methods.

Publications

Various calibration procedures result in optimal standardization of routinely used 25(OH)D ID-LC-MS/MS methods.

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