1
Show Posts
This section allows you to view all Show Posts made by this member. Note that you can only see Show Posts made in areas you currently have access to.
Messages - QizhiSu
2
MS-DIAL / Re: No peak information
I am running GC-MS data, but I have a similar issue. MSDIAL crashes during the alignment step because of no peak information.
The weird thing is that not all files have this problem and when I run different times, different files have this problem.
3
MS-DIAL / Re: MS-DIAL versions after 4.48 crash after processing and on loading alignment file
I have not experienced this issue before, but recently yes. I don't know if it is related to the system, since I have updated the systems. I am using the following system:
Processor AMD Ryzen 5 3500U with Radeon Vega Mobile Gfx 2.10 GHz
Installed RAM 12.0 GB (9.94 GB usable)
System type 64-bit operating system, x64-based processor
Edition Windows 10 Pro
Version 21H1
Installed on 10/2/2020
OS build 19043.1706
Experience Windows Feature Experience Pack 120.2212.4170.0
All the best,
Qizhi Su
4
MS-DIAL / Peak area is about 24 times higher after simultaneously curate alignment
Has anybody ever experienced substantial peak area change after manually curating peak alignment using the "Aligned chromatogram viewer for the simultaneous curation" function?
I just find it weird. For me, after manually curating, all peak areas are about 24 times larger.
Any idea about why this happens? And how to avoid this situation?
Best regards,
Qizhi Su
5
MS-DIAL / Re: PCA function
In my understanding, yes, normalization is required for performing PCA.
Best regards,
Qizhi Su
6
MS-DIAL / Re: VS4.9 and VS5-alpha series
Hope everything is fine with you.
A huge thanks to you and your team for continuously developing and improving the great software!
Just interested in if version 5 will work with two-dimensional GCMS data?
best regards,
Qizhi Su
7
MS-DIAL / Re: Issues with data processing in MS dial
Best regards,
Qizhi Su
8
MS-DIAL / Re: Duplication of compounds in GC-MS alignment
please take a look here http://www.metabolomics-forum.com/index.php?topic=1700.0.
Best,
Qizhi Su
9
MS-DIAL / Re: MSDIAL error version 4.8
all the best,
QizhiSu
10
MS-DIAL / Re: MSDIAL error version 4.8
Maybe you can try to analyze the .raw files directly without prior conversion to .abf.
Best,
Qizhi Su
11
MS-DIAL / Re: Features with different matched compounds - what will be the final hit?
In my understanding, it takes the highest match.
All the best,
QizhiSu
12
MS-DIAL / Re: Convert NIST-MSMS into MSP format readable by MS-DIAL
I developed an R package for this purpose a few months ago, maybe you can give it a try. It is not perfect yet, but I think it can help you.
https://github.com/QizhiSu/mspcompiler
Best,
Qizhi Su
13
MS-DIAL / Re: MS-DIAL version 4.80 was released
Please see the link below. http://prime.psc.riken.jp/compms/index.html
Best,
QizhiSu
14
MS-DIAL / Re: CCS libraries and scoring for IM-MS
Merry Christmas!
QizhiSu
15
MS-DIAL / Re: CCS libraries and scoring for IM-MS
Are you working with Waters IMS data? I am really interested in how to process Water IMS data with MS-DIAL. Do you acquire your data with the UNIFI software?
Best,
QizhiSu