Few questions about MS-FINDER June 10, 2020, 01:46:04 AM Dear Hiroshi Tsugawa,I have a few questions about using MS-FINDER, could you please help?1. Does it allow deleting files from the file navigator? I think it will be very nice to have this function. 2. Does it allow exporting results as .MSP file without peak annotation? I understand that the peak annotation is helpful to get cleaner spectra when building a library. But sometimes the spectrum seems to be overcleaned that the cleaned spectrum is not representative.3. when exporting .MSP file from MS-LIMA, the obtained .MSP file has descriptions about each peak that is annotated by MS-FINDER. I have tried that, this .msp file can be used for MS-DIAL, but I am just thinking this information seems not necessary for a library no? can we export the .msp file without these descriptions? all the best, Qizhi Su Quote Selected
Re: Few questions about MS-FINDER Reply #1 – July 12, 2020, 07:51:18 AM Dear Qizhi1. Does it allow deleting files from the file navigator? I think it will be very nice to have this function.>> The file navigator just recognizes the existence of msp/mat files in the imported directory. Therefore, if you transfer them into a different directory, the files are not existed anymore in the file navigator. Therefore, sorry, I think there is no smart way to delete files in the file navigator of MS-FINDER program.2. Does it allow exporting results as .MSP file without peak annotation? I understand that the peak annotation is helpful to get cleaner spectra when building a library. But sometimes the spectrum seems to be overcleaned that the cleaned spectrum is not representative.>>Currently, of course no option to do that. (but I think, you do not have to use MS-FINDER if the annotation is not needed, right...?) Simply, it's a bit tedious for an end users, the annotation can be deleted by a regular expression in e.g. notepad++.3. when exporting .MSP file from MS-LIMA, the obtained .MSP file has descriptions about each peak that is annotated by MS-FINDER. I have tried that, this .msp file can be used for MS-DIAL, but I am just thinking this information seems not necessary for a library no? >> no, MS-DIAL does not use such an annotation information currently.can we export the .msp file without these descriptions?>> the answer is the same as I describe for the second question.Overall, I am rewriting all source codes of msfinder and msdial right now, and everything will be improved within this year.Hiroshi Quote Selected
Re: Few questions about MS-FINDER Reply #2 – July 14, 2020, 03:02:17 AM Dear Hiroshi, Thanks a lot. 1. The file navigator just recognizes the existence of msp/mat files in the imported directory. Therefore, if you transfer them into a different directory, the files are not existed anymore in the file navigator. Therefore, sorry, I think there is no smart way to delete files in the file navigator of MS-FINDER program >>>> Yes, I notice now that I can delete peaks that I don't want from the folder.2. Currently, of course no option to do that. (but I think, you do not have to use MS-FINDER if the annotation is not needed, right...?) Simply, it's a bit tedious for an end users, the annotation can be deleted by a regular expression in e.g. notepad++ >>>>>In this case, I use MS-FINDER for exporting *.MSP file of known standards. it is fine to delete them by a regular expression.3. Overall, I am rewriting all source codes of msfinder and msdial right now, and everything will be improved within this year>>>> thanks a lot for your great effort!all the best, Qizhi Su Quote Selected