Re: [proteowizard-support] Error in m/z sort?

[Matt C. <mat...@gm...>]

We usually assume that the m/z array coming from the files are sorted. But it would be easy to add 
an optional sort filter like OpenMS has.

-Matt


On 10/21/2013 5:47 AM, Gavin Blackburn wrote:
>
> Hi guys,
>
> I’ve been getting an error from some of the software I use and from what I can find online it is 
> pointing me to corrupted data. This seems sensible except these are dual polarity files and it is 
> only one polarity that fails (usually). I’m processing mzXML files created using MSConvert to 
> split and convert Thermo .raw files from an exactive. The error is from XCMS and reads:
>
> m/z sort assumption violated ! (scan 113, p 828, current 836.5450 (I=925.78), last 836.5547)
>
> I have the file if you’d like to look at it.
>
> This has been happening for a few data sets so it would be nice if I could fix it. I’ve found a 
> thread on the metabolomics forum that suggests a fix but I thought I’d ask you guys if it’s 
> something I can sort out in MSConvert. The thread is here:
>
> http://metabolomics-forum.com/viewtopic.php?f=25&t=144
>
> Cheers,
>
> Gavin.
>