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I recently encountered IsoCor and it fits my need so well! However, I am confused about the parameter **correct_NA_tracer** in the function _isocor.mscorrectors.LowResMetaboliteCorrector_. Suppose I w…
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The following is a collection of small issues which have lower priority to be solved.
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Hey everyone,
I have a short question. I would like to analyze the MS data from a molecule containing an Iron and I would also like to include the isotopic peaks of M-2 and M-1 ( which include an 54F…
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I have just come across this paper by Searle et al which proposes an alternative method to the NNLS solver that we currently use in OpenMS to correct isotopic ratios:
https://onlinelibrary.wiley.co…
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Hi Phil,
I am starting to use PAW pipeline in my TMT studies. The transparency of the workflow and the flexibility is awesome! Although I am not acquainted with Python scripts, I think it is possible…
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Quantitative Behavior of Mass Spectrometers
To apply the theory we learnt in the last chapters of this unit to quantitative analyses with mass spectrometers, we need to think about the limitations th…
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All: I am rather new to this group & would like to introduce open-source applications that I frequently use in our metagenome/metaproteome workflows (primarily on HPC systems):
00. Omega2: https…
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Squid3 Version: 2.0.5
Java Version: 1.8.0_391
OS: Windows 11 22H2
Can SQUID3 process the data from SHRIMP multi-collector mode? Generally, our lab use the software POXI to process Oxygen/Sulfur i…
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sgibb updated
7 years ago
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Hello there,
I am running some Phonopy calculations with a deuterated material. Quantum ESPRESSO does not understand `D` at atomic species, but instead we need an `H2` flag such as follows:
``…