Hi Anas,

I believe that all measured masses are corrected on the fly during
measurement (at least Waters machines does so), and stored lock-mass
scans usually can be discarded by using "scanEvent" filter.

Best Regards,
Andris Jankevics

(1) Groningen Bioinformatics Center,
   University of Groningen, The Netherlands
(2) Systems Biology lab, Joseph Black Building
   Room B3.9, University Avenue, University of Glasgow,
   Glasgow, G12 8QQ, Scotland, UK


On Thu, Nov 1, 2012 at 3:08 PM, Matthew Chambers
<[email protected]> wrote:
> Hi Anas,
>
> I don't know what a "lockmass function" is in the context of a Thermo
> instrument. Do you have it set up as a separate scan event? I thought
> lockmass was calibrated based on finding the given masses inside normal MS1
> scans. Msconvert will certainly export ALL scan events by default, so if
> XCMS isn't picking some of them up that's not an msconvert bug. :) If you
> WANT to export just certain scan events, use the scanEvent filter:
>
> # skip scan event 5
> --filter "scanEvent 1-4 6-"
>
> Hope this helps,
> -Matt
>
>
>
> On 11/1/2012 9:57 AM, Anas wrote:
>>
>> Hi all,
>> How did this problem got solved eventually ? I have acquired Q-Exactive
>> data with lockmass on (for
>> metabolomics uses) and the lockmass functions seems the only one to be
>> recognized by xcms,
>> I appreciate your help,
>> Cheers,
>> Anas
>>
>> On Friday, June 25, 2010 11:36:27 PM UTC+2, Matt Chambers wrote:
>>
>>       Hi Andris and Charlie,
>>
>>     Overdue support for filter lines found in Exactive files has finally
>> been added to ProteoWizard
>>     (as of r2087). Also there was a problem with parsing the
>>     instrument model and that should also be fixed.
>>
>>     Thanks for your reports and for uploading the files.
>>     -Matt
>>
>>     On 6/24/2010 3:46 PM, Zhenyu Chang wrote:
>>     However, I have encountered the following problem when using msconvert
>> tool. I was trying to
>>     convert a .RAW data generated by Thermo Fisher Exactive instrument
>>     to mzML 1.1 data format.
>>
>>
>>     On 11/17/2009 3:19 AM, Andris Jankevics wrote:
>>      > Hi Matt.
>>      >
>>      > Thank you for your work, these data will be mostly metabolomics
>> data
>>      > sets which will be analyzed by XCMS and several other software
>> tools.
>>      > It would be nice to have functionality in ReAdW to extract only
>> mzXML
>>      > file by based on scan event (for example only lock mass corrected
>>      > positive slice), but this is not so essential.
>>      >
>>      > best regards,
>>      > Andris
>>      >
>>      > On Mon, Nov 16, 2009 at 8:36 PM, Matthew Chambers
>>      > <[email protected] <javascript:>>  wrote:
>>
>>      >> That file requires Xcalibur 2.1, which doesn't run on Windows 7
>> x64...I
>>      >> had to use a Windows VM to view it. It indeed appears they've put
>> scan
>>      >> segment and scan event in the filter line, and have added a new
>> keyword
>>      >> ("lock"). The lock keyword appears to only be applied if at least
>> one of
>>      >> the configured lock masses was found in the spectrum, in which
>> case some
>>      >> adjustment has been applied; otherwise, it won't have the lock
>> keyword
>>      >> and no adjustment is applied. It shouldn't be difficult to add
>> support
>>      >> for these changes, although I'm curious what you're planning to do
>> with
>>      >> this data once it's in mzXML format.
>>      >>
>>      >> -Matt
>>
>>
>>
>>
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