Difference between revisions of "LipidXplorer News"

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   DEFINE pcHead = 'C5 H15 O4 P1 N1' WITH CHG = 1;
 
   DEFINE pcHead = 'C5 H15 O4 P1 N1' WITH CHG = 1;
 
   IDENTIFY phosphatedylcholine WHERE
 
   IDENTIFY phosphatedylcholine WHERE
PR IN MS1+ AND
+
        PR IN MS1+ AND
NOT pcHead IN MS2+ WITH TOLERANCE = 50ppm
+
        NOT pcHead IN MS2+ WITH TOLERANCE = 50ppm
  
 
   to check if 'PR' ignored some PC lipids.
 
   to check if 'PR' ignored some PC lipids.
  
 
* June 16th 2008: A new function for the SUCHTHAT section: 'column(<regular Expression>)'. The given regular expression returns only the matching sample names. This is for a selective query.
 
* June 16th 2008: A new function for the SUCHTHAT section: 'column(<regular Expression>)'. The given regular expression returns only the matching sample names. This is for a selective query.

Revision as of 13:18, 16 June 2008

  • June 16th 2008: The 'NOT' statement is now usable in the IDENTIFY section. This allows doing negative queries. For example:
  DEFINE PR = 'C[20..100] H[30..200] N[1] O[8] P[1]' WITH DBR = (0,16), CHG = 1;
  DEFINE pcHead = 'C5 H15 O4 P1 N1' WITH CHG = 1;
  IDENTIFY phosphatedylcholine WHERE
       PR IN MS1+ AND
       NOT pcHead IN MS2+ WITH TOLERANCE = 50ppm
 to check if 'PR' ignored some PC lipids.
  • June 16th 2008: A new function for the SUCHTHAT section: 'column(<regular Expression>)'. The given regular expression returns only the matching sample names. This is for a selective query.