| 摘要 |
A method for analyzing UV-VIS spectrophotometer data of one or more samples , the one or more samples consisting of a number of constituents, the method comprising obtaining prior information for the one or more samples regarding their constituents, obtaining UV-VIS spectrophotometer data for the one or more samples, defining a number of overlapping components contributing in the UV-VIS spectrophotometer data, the number of overlapping components comprising one or more components assigned to known constituents of the one or more samples and the number of components comprising one or more components that cannot be assigned to known constituents of the one or more samples, using the prior information for the one or more samples regarding their constituents and using the UV-VIS spectrophotometer data, estimating the constituents composition and the component contributions to the UV-VIS spectrophotometer data for the number of components for the one or more samples by minimizing a residue between the UV-VIS spectrophotometer data and a fit based on said constituent composition and said component contributions, thus obtaining information regarding the one or more components that cannot be assigned to known constituents of the one or more samples.
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