qizhisu / mspcompiler Goto Github PK
View Code? Open in Web Editor NEWCompile Mass Spectral Libraries from Various Sources
License: Other
Compile Mass Spectral Libraries from Various Sources
License: Other
While the mainlib and replib have a RI.dat
file, custom library does not have it. However, it does have a rivalue.inu
file. I don't know if this file could be use as a reference file for the RI.
Hi QizhiSu,
I have had issues installing, it seems to mainly be regarding ChemineR and ChemineOB. I am new to R however, so this may not be the case.. Are there packages that must be previously installed, or libraries that need to be loaded for the installation? I am really excited to use your program, as it will make my life much easier. Thanks!!
Hi! Thanks for developing the package. It's very useful. I am wondering why read_lib
doesn't include CAS numbers? This is a common field in MSP files (including from NIST) and is very useful information to have for looking up molecules in a database like Pub Chem. It would be nice if read_lib
returned this information.
dear,
when I execute the command
nist_ri <- extract_ri("D:/MASS_library/my lib/ri.dat", "D:/MASS_library/my lib/USER.DBU")
An error was appeared
错误于names(x) <- value:
'names' attribute [4] must be the same length as the vector [3]
how can I solved this?
Hello,
I really like the R package you wrote and it helps me a lot in my work. But when I try to combine SMILES and NIST LCMS MS2 library, I get the following error.
My OS is windows 10, CPU is Intel(R) Xeon(R) W-2133 CPU @ 3.60GHz 3.60 GHz with 64 GB RAM.
Could you please help find what is the matter? Thank you very much.
Hello, I'm very grateful for the code you've provided. However, I do not have the .L extension file in the general version, not the Agilent version. In this case, is there no other method? I would appreciate your kind advice
I have version 4.2 where I am trying to install mspcompiler, it doesn't work despite depends = >2.10. Any tips?
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.