Elemental Analysis pluginは分子の元素構成に関する以下の値を計算・表示します。本製品はMarvinライセンスでご利用頂けます。
Mass: molecular mass
Exact mass: molecular mass calculated from the most frequent natural isotopes of the elements
Formula: chemical formula of the molecule
Isotope formula: chemical formula of the molecule listing isotopes separately
Dot-disconnected formula: chemical formula of the molecule separating fragment formulas by dots.
Composition: elemental composition (w/w %)
Isotope composition: elemental composition listing isotopes separately (w/w %)
Atom count: number of atoms in the molecule.