Why is not accuracy when MS-DIAL process from raw data to alignment results May 25, 2020, 06:27:59 AM 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 Quote Selected
Re: Why is not accuracy when MS-DIAL process from raw data to alignment results Reply #1 – May 25, 2020, 08:26:22 PM Sorry for forgetting upload the parameters of MS-DIAL. Please see the attached figure for parameters detail.Best,Bingpeng Quote Selected
Re: Why is not accuracy when MS-DIAL process from raw data to alignment results Reply #2 – June 02, 2020, 07:32:28 PM 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 Quote Selected
Re: Why is not accuracy when MS-DIAL process from raw data to alignment results Reply #3 – June 03, 2020, 06:58:04 AM 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 Quote Selected
Re: Why is not accuracy when MS-DIAL process from raw data to alignment results Reply #4 – June 06, 2020, 03:23:48 AM Hi Bingpeng,just try to tick the option of "gap filling by compulsion", please?Hiroshi Quote Selected
Re: Why is not accuracy when MS-DIAL process from raw data to alignment results Reply #5 – June 23, 2020, 03:58:20 PM 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. Quote Selected
Re: Why is not accuracy when MS-DIAL process from raw data to alignment results Reply #6 – June 24, 2020, 02:14:29 AM 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. Quote Selected
Re: Why is not accuracy when MS-DIAL process from raw data to alignment results Reply #7 – June 25, 2020, 11:23:00 PM 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! Quote Selected