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@@ -223,8 +223,11 @@ def main():
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NMR1 = [round(l/sum(NMR1), 2) for l in NMR1]
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NMR2 = [round(l/sum(NMR2), 2) for l in NMR2]
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NMR3 = [round(l/sum(NMR3), 2) for l in NMR3]
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print(NMR1)
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print(NMR2)
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print(NMR3)
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return
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#Kombiniert Molekül it Wahrscheinlichkeit für NMR1:
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VERTICE1 = {}
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for vertice, likelihood in zip(VERTICES, NMR1):
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