Abstract
Restricted spectral accuracy is applied to Orbitrap data (240000 resolution at m/z 400) to more clearly break out the scoring and ranking of allowable elemental compositions (ECs) in a candidate list. The correct EC is usually top ranked and separated from other answers by 10 to 40% within the dimensionless 0 to 100% scale, providing a single, definitive EC. The A+2 position (where A denotes the monoisotopic line position) is especially advantageous in restricted spectral accuracy. It has enough intensity and more complexity than (A+1) fine lines and is like a fingerprint. Avoidance of coalescence phenomena and careful ion population control are essential.
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