AutoPiquer mzML

Now you can call AutoPiquer from the command line, meaning that it can be used with external software – e.g. scientific workflow managers. It can also process (and batch process) mzML files now too.  Come and find out more at BMSS 2017, poster 60.  

Introducing AutoLogis :-)

Have a look at our new tool – AutoLogis.  AutoLogis is designed to help automate the process of assigning formulae of complex organic matter mass spectra.    

Spectroswiss and AutoPiquer

Come and find out about Kilgour Lab’s AutoPiquer algorithm at the Spectroswiss booth (701) #asms17 A post shared by David Kilgour (@kilgourlab) on Jun 5, 2017 at 10:43am PDT

Ig Nobel Awards

We were invited to present at the Ig Nobel Awards night event at Imperial College in London! Ig Nobel at Imperial College London, Friday evening    

Autopiquer is published

Good news regarding the Autopiquer peak detection method: we’re pleased to report that the Autopiquer paper has been published in JASMS.  Please get in touch if you want to try it on your data to automate peak detection when you have had to do it by hand before.  

Visiting the Indian Institute of Advanced Research

I’ve had an excellent trip to Ahmedabad to visit the IIAR.  Seen a lot of interesting research and the growing facilities here.  Lots of scope for collaboration and excellent food. Visiting some of the natural products team at the Indian Institute of Advanced Research. Great work going on here. A photo posted by David Kilgour (@kilgourlab) on Nov… Read More »

Autophaser on the PNNL 21T

Autophaser is used to provide part of the data processing software on the world’s most high performing mass spectrometer – the PNNl 21T FT-ICR MS! See the results here. http://link.springer.com/article/10.1007/s13361-016-1507-9

More Quick Vids

More Quick Vids posted – material on concentration calculations and AMDIS to support our 2nd year Analytical Chemistry course.  See what we have on the Teaching Resources page. We want to make these better (even good!) so we do appreciate constructive feedback. We may even be convinced to stop referring to ourselves as plural.