Hi Connor,

In the example file you provided, I see that your 
<indexListOffset>761801</indexListOffset> points to the middle of the intensity 
array of scan 100 and not to the start of the indexList.

 

Your actual indexListOffset looks to be 769983. The error message is because 
the indexListOffset needs to be set to the correct position.

 

Similarly, all your scan indexes listed in the <offset> tags point to the wrong 
places. You can’t see that yet because the TPP stopped reading the file when it 
gave you the first error message.

 

I am not sure what openMS does when a bad index is found; perhaps it just 
recomputes it on the fly at your expense without notifying you. This is 
probably undesired behavior if your goal is to reduce overhead. I will see if I 
can get the TPP to output more verbose error messages in the future, to perhaps 
notify you of the specific problem with the index.

 

Cheers,

Mike

 

From: [email protected] 
[mailto:[email protected]] On Behalf Of Connor Hoffmann
Sent: Monday, August 07, 2017 3:26 PM
To: spctools-discuss
Subject: [spctools-discuss] TPP Search Software not working with generated mzML 
files

 

Hi all,

 

My group is working on software capable of generating mzML files that can be 
searched/viewed with TPP and other software.

 

The mzML files we generate are openable and viewable in programs like seeMS. 
MS/MS searches can also be conducted on our generated files in programs like 
Mascot (through their server) and MSGF+. 

 

The issue is that when I try to run out mzML file in a comet search(or any 
other search part of the TPP pipeline) this error is thrown: 

 

                                                                          
test.mzml(1) : error 2: Syntax error parsing XML.

 

I understand that this is probably an error with how the mzML files are getting 
formatted. Does anyone have any advice as to why our files can be searched in 
other software that's not part of the TPP? Do searches like Comet have more 
strict formatting standards?

 

Also our generated mzML files pass xml and mzML validation put out by openMS. 

 

I know a workaround is to convert the mzML into a TPP comatible mzML using 
MsConvert, however if at possible I would like if our generated files were 
compatible with TPP searches without the added overhead of converting them.

 

I have attached an example of one of our generated mzML files should you like 
yo view it.

 

Thank you!

 

Connor Hoffmann

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