Histogram from Scientific Research

Histogram of probability (grey, left y axis) and cumulative probability (blue, right y axis) showing the difference in r.m.s.d. (left) and | Δ E TS | (right) between OA-ReactDiff-recommended and React-OT structures compared with reference TS. Negative Δr.m.s.d. or Δ | Δ E TS | suggests that the React-OT structure is of higher quality. A box plot (blue) for Δr.m.s.d. and Δ | Δ E TS | is shown above the histogram, correspondingly. A dashed vertical line is shown for no deviation between two structures.

DOI