[GC] Deploy updated MSHub code for high res data deconvolution

[aaksenov1]

The repo: https://bitbucket.org/iAnalytica/mshub_process/src/master/ Everything should be the same as for the low res version. The code accepts both high and res low data (and determines which one it is), the output will match native resolution of the data. So, users don't need to specify the resolution.

Test cases (high res data run on low res workflow):

HomeChem - Yale (analyzed with vendor software, ground truth for several compounds is known) https://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=35b67061d4b8494c8225b7aafbca6195 https://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=38628e00e20a41a29784150548e9e3c4 Success criteria: Detection of any PAHs (Naphthacene, Anthracene etc.)

qToF SCFAs detection - Liquid injection https://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=dec1cd1e345742b8849202c5fba4ba98 https://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=c4ff381901f6425eac2178fbf1f0df44 Success criteria: Detection of any SCFAs

SCFAs detection - SPME https://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=b33d08d3add14fee8ec414c3b27462c4 https://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=017cb37baf5544078fa8b84244a754ef Success criteria: Detection of any SCFAs

3D skin pilot - Headspace https://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=f1013e2f054b4043a0c31f263c629cdd https://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=b6998ae352534290bb7d869ffcbab9ff Success criteria: Detection of squalene, globulol, hexanoic acid, phenylene dibenzoate

QE Spiked standards dataset (ground truth is known) https://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=b6a57d176d1c496cbba007b2ba1fa0f8 https://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=c367af693fb347f7b59166192d0fa823 Success criteria: Detect any of the test compounds for the list:

cis-13,16-Docosadienoic acid methyl ester cis-4,7,10,13,16,19-Docosahexaenoic acid methyl ester cis-11,14-Eicosadienoic acid methyl ester cis-5,8,11,14,17-Eicosapentaenoic acid methyl ester cis-8,11,14-Eicosatrienoic acid methyl ester cis-11,14,17-Eicosatrienoic acid methyl ester cis-11-Eicosenoic acid methyl ester Methyl cis-10-heptadecenoate Methyl hexanoate Methyl γ-linolenate Methyl arachidate Methyl arachidonate Methyl behenate Methyl butyrate Methyl decanoate Methyl dodecanoate Methyl elaidate Methyl erucate Methyl heneicosanoate Methyl heptadecanoate Methyl linoleate Methyl linolelaidate Methyl linolenate Methyl myristate Methyl myristoleate Methyl oleate Methyl octanoate Methyl palmitate Methyl palmitoleate Methyl pentadecanoate Methyl cis-10-pentadecenoate Methyl stearate Methyl tricosanoate Methyl tetracosanoate Methyl tridecanoate Methyl undecanoate Methyl cis-15-tetracosenoate n-Octane n-Decane n-Dodecane n-Tetradecane n-Hexadecane n-Octadecane n-Eicosane n-Docosane n-Tetracosane n-Hexacosane n-Octacosane n-Triacontane n-Dotriacontane n-Tetratriacontane n-Hexatriacontane n-Octatriacontane n-Tetracontane Ribitol Adonitol