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SPEKTRALLE

SPECTROMETRY ANALYSIS AID

PROJECT TYPE

Collaboration with Mounika Garlapati, 2017; CONTRIBUTION: All but the database retrieval code.

TOOLS

Swift|Vector Software

PROBLEM

Stopping to cross-reference functional groups impedes the compound identification process.

 

SPEKTRALLE is an application designed to enhance the workflow of chemists using spectroscopy methodologies to determine the composition of unknown substances.

 

I struggled with this identification process as a student and sought to streamline it.

 

By eliminating the need to manually cross-reference peak values, Spektralle allows chemists to spend more time thinking about structure and less time staring at tables.

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User flow

HOW IT WORKS

The application accepts peak values and returns functional groups they are likely to represent.

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Database underlying peak prediction

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Concept sketch