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chore: remove dangling cells
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JSchlensok committed Oct 15, 2024
1 parent 5c9f5d7 commit 4cb9d88
Showing 1 changed file with 1 addition and 67 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -114,72 +114,6 @@
"## 3 - Running Oktoberfest"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"{\n",
" \"type\": \"Rescoring\",\n",
" \"tag\": \"\",\n",
" \"output\": \"./out\",\n",
" \"inputs\": {\n",
" \"search_results\": \"./msms.txt\",\n",
" \"search_results_type\": \"Maxquant\",\n",
" \"spectra\": \"./\",\n",
" \"spectra_type\": \"raw\",\n",
" \"instrument_type\": \"QE\"\n",
" },\n",
" \"models\": {\n",
" \"intensity\": \"baseline\",\n",
" \"irt\": \"Prosit_2019_irt\"\n",
" },\n",
" \"prediction_server\": \"koina.wilhelmlab.org:443\",\n",
" \"numThreads\": 1,\n",
" \"dlomixInferenceBatchSize\": 1024,\n",
" \"refinementLearningOptions\": {\n",
" \"batchSize\": 1024,\n",
" \"includeOriginalSequences\": false,\n",
" \"improveFurther\": false,\n",
" \"datasetFilteringOptions\": {\n",
" \"searchEngineScoreThreshold\": 0,\n",
" \"numDuplicates\": 100\n",
" }\n",
" },\n",
" \"fdr_estimation_method\": \"mokapot\",\n",
" \"allFeatures\": false,\n",
" \"regressionMethod\": \"spline\",\n",
" \"ssl\": true,\n",
" \"thermoExe\": \"ThermoRawFileParser.exe\",\n",
" \"massTolerance\": 20,\n",
" \"unitMassTolerance\": \"ppm\",\n",
" \"ce_alignment_options\": {\n",
" \"ce_range\": [19,50],\n",
" \"use_ransac_model\": false\n",
" }\n",
"}"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"with open(\"./rescoring_config.json\", 'w') as f:\n",
" json.dump(rescoring_config, f)"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"run_job(\"./rescoring_config.json\")"
]
},
{
"cell_type": "markdown",
"metadata": {},
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" },\n",
" \"prediction_server\": \"koina.wilhelmlab.org:443\",\n",
" \"ssl\": True,\n",
" \"thermoExe\": \"/opt/compomics/ThermoRawFileParser.exe\", # ensure you point to the right location of the executable here!\n",
" \"thermoExe\": \"ThermoRawFileParser.exe\",\n",
" \"massTolerance\": 20,\n",
" \"unitMassTolerance\": \"ppm\",\n",
" \"numThreads\": 1\n",
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