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Table 2 Format of the files in the Additional file. This segment is from the CSC output corresponding to the \(^{32}\)SO\(_2\) input at the \(5\times 10^{-6}\) cm\(^{-1}\) uncertainty threshold (see Table 1)

From: Selecting lines for spectroscopic (re)measurements to improve the accuracy of absolute energies of rovibronic quantum states

98 1 1558.64590000 0.00148854 0 3 0 2 2 0 0 0 0 1 1 1 17UlBeGrBe.1597

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98 2 1023.54790000 0.00091459 0 3 0 2 2 0 0 1 0 3 3 1 17UlBeGrBe.515

98 2 1039.36030000 0.00133375 0 3 0 2 2 0 0 1 0 2 1 1 17UlBeGrBe.639

98 2 1040.73540000 0.00080000 0 3 0 2 2 0 0 1 0 1 1 1 17UlBeGrBe.648

  1. First column: the index of the path. Second column: the index of the edge in the path. Columns 3+: transitions corresponding to the edge of the path. In practice, this means that one should re-measure the ’17UlBrGrBe.1597’ transition, and one of the three other transitions, to form a new, accurate path, improving the accuracy of 118 new quantum states
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Journal of Cheminformatics

ISSN: 1758-2946

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