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MassBank / MassBank2NIST

A converter between MassBank and NIST (and Bruker .library) formats and back
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NIST to MassBank converter

It is required to install the included files into your local maven repository upfront:

mvn install:install-file -Dfile=./lib/massbank.jar -DgroupId=massbank  -DartifactId=massbank -Dversion=1.0 -Dpackaging=jar
mvn install:install-file -Dfile=./lib/metfusion.jar -DgroupId=de.ipbhalle.msbi  -DartifactId=metfusion -Dversion=1.0 -Dpackaging=jar

Then compile the converter with

mvn clean package

run the result with:

java -jar target/MassBank2NIST-0.0.2-SNAPSHOT.jar

Usage:

java -jar target/MassBank2NIST-0.0.2-SNAPSHOT.jar -mode mb2lib  -spectra path -mol path -output path
java -jar target/MassBank2NIST-0.0.2-SNAPSHOT.jar -mode lib2mb  -library primidone.library -output records -prefix SU -properties example.properties