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MetFrag Web appears unhappy #144

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schymane opened this issue Jul 16, 2024 · 1 comment
Open

MetFrag Web appears unhappy #144

schymane opened this issue Jul 16, 2024 · 1 comment

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@schymane
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Parviel is reporting issues with MetFrag Web, which I can partially reproduce (he is also reporting that it's getting progressively worse, he's refreshed, cleared cache, no improvement). I do not see the same issues on MetFragBeta (nor does he).

Parviel's report:

  • No candidates today with PubChemLite_exposomics_20240426 but candidates retrieved for same query on 10th July
  • Bizarre "view spectrum" scaling
  • No structures displayed once candidates processed
  • Cannot export CSV

Emma tried default query with PubChemLite (same version as Parviel) and can confirm the latter two issues but not the first two (perhaps default data is saved/processed differently).

Screenshots for Parviel's report:
image
image
image
image

Screenshots for Emma's report:
image
image

Screenshot confirming MetFragBeta is working fine for Parviel:
image

...and for Emma (file download was also successful):
image

MetFragBeta also has a newer PubChemLite, but both are out of date (should be June by now ;-) )

@chirsir
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chirsir commented Jul 16, 2024

<style> </style>

ms2 mass_chosen(closest to fragment mass) | 184.0731

<style> </style>
m/z Intensity
51.1609 1513.4
52.4966 1491.6
58.7295 1508.8
67.8898 1432.4
72.3874 1660.5
82.8464 1509.8
83.5547 1493.9
84.3893 1776.9
114.0661 52366.2
114.0705 3582.9
147.7624 1557.2
161.0101 3641.6
165.3225 1707.5
171.9223 2153.3
183.9122 4100.3
184.1191 379032.8
184.1693 2506
184.9454 1563.5
194.859 1797.1
201.9226 7655.8

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