Hi Thomas,

> The reason is that no zero value data point is added at the end of a peak to 
> currentPeakDataPoints for some of the peaks. I have no idea why and was 
> hoping that someone with more knowledge about the algorithm could have a look 
> at what is causing this. I expect that this bug also exist in the gap filling 
> module and therefore I think it is of high priority to fix this.

I'd argue with the high priority... Although I agree this should be fixed at 
some point, I think it is the kind of bug that has minimal effect on the final 
results (e.g., the biological conclusions coming from your experiments). That 
is because the last tiny data point will not make any dramatic difference in 
the peak area. 

As you already noticed, there is currently quite a mess in these classes in 
MZmine (multiple Gap.java, etc.). That's the reason why I am trying to move all 
the algorithms into MSDK with a new, solid data model. I think fixing these 
problems MZmine now is not worth the time invested.

>  
> Happy Easter everyone – I hope you have a nice time with your family and 
> loved ones!

Happy Easter to you, too :)

Tomas

===============================================
Tomas Pluskal
G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University
1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan
WWW: https://groups.oist.jp/g0
TEL: +81-98-966-8684
Fax: +81-98-966-2890

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