Respected sir, I am using mzmine and i cant wait to say, its is a wonderful software but i want to point out an error in NIST search module. The file written by mzmine to be exported for search in nist (MZMINE2NIST0000000000.MSP) library is not written in correct format by this software. In fact it writes MZMINE2NIST file in .sdf type file format, but we it should be in .msp type file format. i am sending you two files. file name containing 'In-correct' is the file made by MZmine for Nist. File name containing 'Correct' is the actual format we are need. I copied file from Temporary files format folder made by Mzmine for Nist (MZMINE2NIST.MSP) then converted it in .MSP file by using convector 'Lib2NIST' convector. then opened it in NIST MSSRARCH and it worked. if you will open file made by MZMINE, you will get an error message by Nist as "MZMINE2NIST is not a library file or library file too big'. open attached files in notepad you will get whole story.
It has taken my whole week to search for this error. Please make new module and send me. also let me know how to place this module in MZMINE. I am not a student of computer science and english speaking. Hope that you will understand it. I will be very grateful to you for this.
Correct MZM2NISTC.MSP
Description: Binary data
In Correct MZM2NISTosdf.MSP
Description: Binary data
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