Dear Developers I am working on a lipidomics study of cancer patients plasma. Before starting with the untargeted acquisition, I did some tests on lipid standards and I found that on a particularly large ganglioside (over 1600 Da) MSDIAL can not recognize the bicaric state of the molecule, even if it is markedly evident, and then it tries a misidentification as if it were M- and not M2-. I don't understand the reason. I can safely share the raw files as the MSDIAL session. all the best Andrea
Dear Developers I will soon have the opportunity to analyze several hundred infused biological samples. I was wondering if MSDIAL is capable of handling data of this type, effectively lacking chromatography. all the best Andrea
dear Developers During the MS Finder search on all MS/MS events (including the identified ones) I received the following error:
Batch job was desorbed by the following error: Object reference not set to an instance of an object
what does it mean? what are the measures to avoid it again? the processing time is very long, even if I indicated in the configuration a time out of 1 min (structure finder stopped at 255075933 after 2 day..) all the best andrea
Dear Developers some suggestions in reference to the "File Property Setting": 1) have the possibility to select\deselect all files with only one flag. 2) select \ deselect files using only the group they belong to (QC, Control, Treated etc..). these simple features would simplify a lot the work on wide samples avoiding stupid selection errors.
I would like if it was possible to have a clarification on column Y varaibile 0-1.
Dear Developers In the "Show ion table" the functions "Annotated Compound Table" and "Spot Relation Table" are not clear to me. My difficulty is to understand exactly what they refer to and how to use them. thanks for your time Andrea
thanks to the developers to make our work easier and more efficient. I have three questions about spectral library management. 1) on the site (http://prime.psc.riken.jp/compms/msdial/main.html#MSP) there are the new databases, Last edited in Aug.14th, 2020. If I try to open, for example, "All public MS/MS (12,879 unique compounds) MS/MS Negative 36,848 records" in MS-Lima I get a long line of errors. why? 2) Wouldn't it be very useful and simpler if MSDIAL could integrate the search on different MSP files at the same time, without having to do any merging of the different db? Keeping the public MSP file fixed, downloadable from prime.psc.riken.jp, I could integrate it with small, new, and customized libraries! 3) in case I want to merge two MSPs what is the procedure? thanks for your work Andrea
Dear developers, I would like to better understand how and where to set the information of the internal calibrants to make the normalization of chromatographic runs. I would also like to understand what they are and how to use the parameters that show ion table and specifically Fill and Correlation Thanks for your work, you have created a software which is the MaxQuant of Metabolomics! all the best
