Recently, I do not have much time to share my opinion/comment/suggestion to your posts. I actually left RIKEN and started new career at tokyo university of agriculture and technology. In this year, I have to prepare many lecture slides for university's students...However, we are developing new ms-dial programs to boost metabolomics/lipidomics/proteomics studies. Here, I uploaded new programs.
Although we still take care about the current version 4 series for a while, our developers now focus on the development of new MS-DIAL 5 series. It can be download by ID and password until the publication, and please let me know if you have time to evaluate the program. Thanks,
Especially, below is the main functional updates. 1. Ready to directly import Bruker LC-MS (.d/.baf) and LC-IM-MS (.d/.tdf) data. 2. Command line function for LC-IM-DDA (like PASEF) and LC-IM-DIA (like diaPASEF and other AIFs) is now available (method "lcimdda" or "lcimdia"). 3. Direct imports of Agilent, Thermo, Bruker, Waters, and Sciex were validated (by Drag and Drop).
The MS raw data of SCIEX (.wiff, .wiff2), Thermo (.raw). Agilent (.d), and Waters (.raw) can be imported directly without any data conversion. SWATH-MS type acquisition in SCIEX WIFF1/WIFF2 and Thermo RAW was validated. AIF type acquisition in Agilent data was validated (The abf file format for Waters MSE is still needed. However, it will be fixed soon). Raw data of Agilent and Waters can be imported by "drag and drop" of the analysis files in the analysis file import window. The option "N% detected in at least one group" was added to GCMS project. SIRIUS .ms format was supported as a peak list export option. The peak picking algorithm was improved (see http://www.metabolomics-forum.com/index.php?topic=1609.0). Lipidomics platform (including MS/MS search function) was improved. The function of "gap filling by compulsion" was fixed (see http://www.metabolomics-forum.com/index.php?topic=1469.0).
Thanks community! Today, I uploaded the latest version (4.36) of MS-DIAL and the brief summary for the update is available here. http://prime.psc.riken.jp/compms/index.html
New features of MS-DIAL: 1. Modified IBF converter program to accurately calculate the decimal of ion mobility data's m/z values for accumulated MS1 spectra. 2. The normalization functions are now fully supported in ion mobility data processing. 3. Fixed the theoretical spectra of [M+Na]+ ion form of LPC and PC. 4. Fragment rule based lipid annotations were improved for several lipid subclasses especially in [M+Na]+ form. 5. Improved and fixed the programs from the feedback in MS-DIAL software forum.
