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chore: added folder structure view & description for data paths
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README.md

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@@ -34,10 +34,22 @@ So navigate to that directory and copy the _env.dist_ file into a new _.env_ fil
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cd MassBank3/compose
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cp env.dist .env
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Download the latest release of MassBank data in MSP format and move it the _data_ directoy (default):
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The default structure of the _data_ folder looks like the following:
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/MassBank3
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|---...
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|---/compose
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|---/data
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|---/massbank-volume
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|---/postgres-data
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|---...
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The path to PostgreSQL via _DB_LOCAL_PATH_ is "/MassBank3/data/postgres-data" by default. "/MassBank3/data/massbank-volume" is the default directory to store the MSP file needed for the similarity service and can be set via _MSP_LOCAL_PATH_.
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In order to provide the MassBank data to the similarity service, download the latest release of MassBank data in MSP format and move it the _data_ directoy (default):
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wget https://github.com/MassBank/MassBank-data/releases/latest/download/MassBank_NIST.msp
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mv MassBank_NIST.msp ../data/MassBank_volume/
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mv MassBank_NIST.msp ../data/massbank-volume/
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Now use _docker compose_ to start the system (in daemon mode):
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compose/env.dist

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@@ -46,8 +46,8 @@ SIMILARITY_SERVICE_PORT=8082
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# The host name of similarity service
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SIMILARITY_SERVICE_HOST=localhost
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# The path to the volume to store, e.g. "/MassBank_volume"
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MSP_LOCAL_PATH=./../data/MassBank_volume
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# The path to the volume to store, e.g. "/massbank-volume"
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MSP_LOCAL_PATH=./../data/massbank-volume
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# The filename of MassBank MSP file
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MSP=/MassBank_NIST.msp

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