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• Find your chemistry using the Spectral Analysis Search application by:

• John A. Zenkner (BSc Geology, MSc Geochemistry, Research Student)

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Where:London, United Kingdom Email1:jzenkn01@mail.bbk.ac.uk Web:Pascal

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Let's try an example of an unknow signal that is extracted from multiple signals contained within the PASCAL library database.

example1

The information displayed includes signal values attributed to Chlorophyll and Gypsum; if the signal sample contains all this data, the probability of these two components as a 'mixture sample set' are high.
The following chart derived from these data emphasises this relationship. The chart is produced by clicking on the 'magnifying lens' icon.

example2

Another example of mixed sets...
example3
We plot the data by clicking on the 'magnifying lens' icon and 'cleaning' some of the data (right click on the legend to eliminate sets).
example4
The sample, if all these data points represent it, show a potential mixture of kaolinite, gypsum, bassanite and....chlorophyll 'A'! This capability brings a new sample from 4 existing samples in the database, no need to have a sample in the library representing a gypsum-chlorophyll set, but we have found this new sample by querying different sets already contained within the library database to create a new one!
Another very interesting correlation is the overlapping of data points between gypsum and bassanite, when looking closely at the graphs...
PS: this is by no means a real example of a 'sample set' but only a demonstration of the system capabilities. Your interpretation is the final word!
example5example6

Both are hydrated calcium sulphates sharing many points except 2.21µn, which is absent from bassanite.


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