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Hi Ming @mwang87 !
I, @lfnothias, and @hoseinmohimani have several requests & suggestions about updating [In Silico Tools](https://gnps.ucsd.edu/ProteoSAFe/static/gnps-theoretical.jsp) webpage. Some …
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Hi Vadim,
I’ve been running into this issue, raw files acquired from Orbitrap Astral are not loaded by Diann, no matter it’s 1.8 or 1.9 version/1.9.1 of diann. It happens occasionally, not for all …
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Hi dear developer,
## Basic information
Our laboratory works on the specified metabolites involved in the ecological interactions of crops in the Brassicaceae family (Within this group, we c…
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Today for series 2D we have
```js
[
[
[
127.5, 83.7, 75.9, 63.9,
55.9, 43.9, 39.9, 38,
36.8, 36, 34.8, 31.9,
29, 28, …
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Hi Sebastian,
I am currently working with massive `MassPeaks` lists of MALDI-FTICR data. By massive I mean
```
>length(e$msDataPeaks)
[1] 41371 # number of spectra
> mean(lengths(e$msDataPeak…
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The peptide sequences can be filtered by PTMs, you can search by a pattern expression and also a PTM see documentation here https://spectra-ws.readthedocs.io/en/latest/find_ptm.html
For that, the u…
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Hi,
I am running your tutorial (https://www.bioconductor.org/packages/release/bioc/vignettes/xcms/inst/doc/xcms.html#6_Session_information), and met a problem when I run the code `spectra(faahko)`.…
Tina9 updated
2 months ago
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### Background
Earlier last year, a [bio-transformation experiment ](https://github.com/OpenSourceMalaria/OSM_To_Do_List/issues/513)created a product which exhibited a potency of
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On my work computer on Windows 10, `./sirius --help` (or any other way to start SIRIUS, such as the GUI) takes several minutes (>6 min, see log below).
On my (much less powerful) home computer on Win…
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I came across a bug for Spectra of Adducts [M-2H]2-.
MWE is attached.
The compound with ID 4339 has the formula: C8H4Cl2N2O7S2
The [M-2H]2- ion has a monoisotopic mass of 185.934572, which can be…