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Topic: Why is not accuracy when MS-DIAL process from raw data to alignment results (Read 377 times) previous topic - next topic

Why is not accuracy when MS-DIAL process from raw data to alignment results

Dear users,

I recently encountered a problem, some of the features in alignment results appeared a lot of zero values but the features could detect well in MS raw data (please see the attached file). Here we take a DAG (18:1/18:1) as an example, the mass of DAG (18:1/18:1) could be observed in all 6 replicated data but in final alignment list, M-1 and M-5 peak height changed obviously compared with other four data. From MS-Dial, it seemed to mislabel it as isotope (M+1) in M-1 and M-5.

So could anyone tell me what's the reason and how to correct it by setting the proper MS-DIAL parameters?

Thank you very much.

Best,

Bingpeng

Re: Why is not accuracy when MS-DIAL process from raw data to alignment results

Reply #1
Sorry for forgetting upload the parameters of MS-DIAL. Please see the attached figure for parameters detail.

Best,

Bingpeng

Re: Why is not accuracy when MS-DIAL process from raw data to alignment results

Reply #2
Hi Bingpeng,

sorry for the late reply.
Could you please let me know all the parameters of MS-DIAL? Otherwise, I cannot make a suitable suggestion for you...
Maybe, it can be resolved by changing the parameters of alignment tab.

Did you tick the checkbox of "gap filling by compulsion"?

Hiroshi

Re: Why is not accuracy when MS-DIAL process from raw data to alignment results

Reply #3
Hi Hiroshi,

Attached please find the capture of all parameters.

In addition, I didn't tick the checkbox of "gap filling by compulsion".

Please give me your suggestion, thank you very much.

Best,

Bingpeng

Re: Why is not accuracy when MS-DIAL process from raw data to alignment results

Reply #4
Hi Bingpeng,

just try to tick the option of "gap filling by compulsion", please?

Hiroshi

Re: Why is not accuracy when MS-DIAL process from raw data to alignment results

Reply #5
Hello!  Has this issue been resolved?  I think I am seeing similar things with my data where when I did manual data analysis of the raw data and I saw the peaks there with good %CV's with the replicates but bad CV's when running it under MS-Dial.  Thanks. 

Re: Why is not accuracy when MS-DIAL process from raw data to alignment results

Reply #6
Hello, the issue wasn't resolved and I already used the data for further analysis. Fortunately, only fewer features were observed similar issues. I also tick the option of "gap-filling by compulsion", but it still has zero value.

Re: Why is not accuracy when MS-DIAL process from raw data to alignment results

Reply #7
Thank you for your response.  I will probably post a new one for my dilemma and see if others can help me.  Have a good evening and keep safe!