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| | | IMAGE, | | CALSTAT | | |
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| | | Before developing the method, it might be necessary to identify the elements and estimate their concentration range. Semi-quantitative analysis is performed with IMAGE by using multiple lines, based on the acquisition of the complete spectrum (120 to 800 nm). | | Spectra are stored for recalculation at any time for any element or line. All peaks can be visualised for confirmation. Real sample spectra can then be transported to MASTER, providing full interactivity between IMAGE and MASTER. | | |
| | | The development of the method is completed afterwards dure, determination of limits of quantitation, valida-with a statistical evaluation of the calibration proce- tion of background correction, and advice for weigh-dure. Once the calibration is realised, automatic calcu- ting the regression. lations in the CALSTAT tool help the analyst to evaluate the following criteria: verification of linearity, estimation of uncertainty due to the calibration proce- | | |
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| | | IMAGE provides a fingerprint of the samples and ensures traceability with possible re-processing | | |
| | | SOS | | |
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| | | SOS (Statistical Outlier Survey) is a statistical process of the multi-line results, for the rejection of possible outliers, to provide a single reliable element concentration. SOS copes with both positive and negative bias, and avoids recalculating the results. | | |
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| | | Full spectrum acquisition (120-800 nm) | | |
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| | | MASTER | | |
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| | | MASTER (Multi-line Analysis, Selection Tool for Enhanced Reliability) ensures the multi-line selection for each application. Thanks to S3-base, the line selection is facilitated through the automatic Filtering and the Display procedures. Basically, the analysts just have to specify the list of elements and their concentration range. Based on the S3-base spectroscopic data, MASTER suggests lines for each analyte that are adequate for the defined concentration range and that are not interfered by the concomitant elements when present at their highest expected concentration, to be under the most pessimistic case. The number of lines to be suggested, | | as well as sensitivity and interference filtering criteria, are user-defined. As an example, for a concentration range 0.05 - 50 mg/L of Cr as the analyte, in the presence of Mn in the range 10 - 500 mg/L, the filtering procedure suggests at least 8 appropriate Cr lines. Then, MASTER displays the analyte spectrum along with those of concomitant elements and the blank spectrum. This helps in the ultimate validation or rejection of a line, and to determine the correct background correction positions. | | |
| | | In our example, if Zn is present in one sample and was not expected, bias will occur: the right background of chromium 205.571 nm line is slightly increased and the 206.164 nm line is interfered. Both lines are rejected and three remain for the reliable calculation of Cr concentration. | | |
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| | | Cr 205.571 -1- | | Cr 206.164 | | |
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| | | 30e5 | | |
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| | | SOS helps the analyst to optimise the method, as well as to perform routine analysis with security, by detecting outliers if unexpected interferences occur. | | |
| | | 30e4 | | |
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| | | S | | |
| | | 20e4 | | |
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| | | 10e5 | | |
| | | ines and backgrounds of all elements are then exported, for an automatic set-up of the analytical method for analysis. Thanks to the proprietary S3-base, tedious line profiling optimisation is no longer needed. | | |
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| | | 10e4 | | |
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| | | 0e0 | | |
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| | | 205.4 W^Lr | | |
| | | Wavelength | | (nm) | | |
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| | | J | | |
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| | | Mn 500 mg/L - Zn 300 mg/L | | |
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| | | 4 | | 5 | | |
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