TopFD error on timsTOF pro2 file after MS converter to mzML file

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SJ dai

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Jun 13, 2023, 2:37:14 PM6/13/23
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Dear developers,

I was trying to process some raw data by the Bruker timsTOF pro 2 MS (with tims off) using the TopPIC (v1.6.3).  After file conversion from .d to .mzmL file using the latest version of MS Converter (Version: 3.0.23146-4ef0614) with default peak picking options.  
The result mzML file was readable by the SeeMS app properly.  

Then I used the TopFD to detect features from this file.   I received an error message immediately after I started the process.  See below.  

Total thread number: 4

Total memory: 31.54 GiB

Available memory: 29.54 GiB


terminate called after throwing an instance of 'std::out_of_range'

what(): Invalid cvParam accession "1003283"


I tested the example files from tutorials, and they were working fine.  

I am wondering how to fix this problem.  


Thank you,

Shujia

liuxia...@gmail.com

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Jun 14, 2023, 11:38:53 AM6/14/23
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Hi, Shujia, 

Thank you for using TopPIC and letting us know the problem. If possible, could you share with us a test data file. We will test TopPIC on it and fix the problem. 

Best, 

Xiaowen (Kevin)

liuxia...@gmail.com

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Jul 6, 2023, 12:40:41 PM7/6/23
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Hi, Shujia, 

We have fixed the bug in TopPIC version 1.6.4, which has been released yesterday. You can download the new version and test it. 

Best, 

Xiaowen 

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