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comparison GCMS/library_lookup.xml @ 13:5a753524e525

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fix for match_library
author pieter.lukasse@wur.nl
date Thu, 19 Mar 2015 15:04:56 +0100
parents 4393f982d18f
children f70b2c169e3a
comparison
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12:7661f5ade5c4 13:5a753524e525
59 </page> 59 </page>
60 </inputs> 60 </inputs>
61 <outputs> 61 <outputs>
62 <data format="tabular" label="${tool.name} on" name="output" /> 62 <data format="tabular" label="${tool.name} on" name="output" />
63 </outputs> 63 </outputs>
64 <code file="match_library.py" /> 64 <code file="../match_library.py" />
65 <help> 65 <help>
66 Performs a lookup of the RI values by matching CAS numbers from the given NIST identifications file to a library. 66 Performs a lookup of the RI values by matching CAS numbers from the given NIST identifications file to a library.
67 If a direct match is NOT found for the preferred column name, a regression can be done to find 67 If a direct match is NOT found for the preferred column name, a regression can be done to find
68 the theoretical RI value based on known RI values for the CAS number on other column types (see step 4). 68 the theoretical RI value based on known RI values for the CAS number on other column types (see step 4).
69 If there is no match for the CAS number on any column type, then the record is not given a RI. 69 If there is no match for the CAS number on any column type, then the record is not given a RI.