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fix bug
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- take intensity bug
- STOCSY bug
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@aeiwz
aeiwz committed Jan 21, 2025
1 parent 8588047 commit 62053e6
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244 changes: 244 additions & 0 deletions metbit/dev/test_peak.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -922,6 +922,250 @@
"source": [
"plot_NMR_spec(spectra=df2, ppm = ppm, label=None).single_spectra()"
]
},
{
"cell_type": "code",
"execution_count": 1,
"metadata": {},
"outputs": [],
"source": [
"import pandas as pd\n",
"import numpy as np\n",
"\n",
"#random data for 100 x 1000\n",
"df = pd.DataFrame(np.random.rand(100, 1000))\n"
]
},
{
"cell_type": "code",
"execution_count": 3,
"metadata": {},
"outputs": [
{
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"\n",
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"\n",
"[5 rows x 1000 columns]"
]
},
"execution_count": 3,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"df.sample(5)"
]
},
{
"cell_type": "code",
"execution_count": 12,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"([1, 2, 4, 6, 23, 25], ['4', '2', '1', '23', '25', '6'])"
]
},
"execution_count": 12,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"d = [1,23,25,4,6,4,1,1,2]\n",
"f = [str(x) for x in d]\n",
"list(set(d)), list(set(f))"
]
}
],
"metadata": {
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