Data-collection statistics.

<p>Values in parentheses are for the outermost shell.</p>†<p><i>R</i>_merge = ∑<i>_hkl</i> ∑<i>_i</i> |<i>I_i</i>(<i>hkl</i>)–<<i>I</i>(<i>hkl</i>)>|/∑<i>_hkl</i> ∑<i>_i I_i</i>(<i>hkl</i>), where <i>I_i</i>(<i>hkl</i>) is the <i>i</i>th observation of reflection <i>hkl</i> and <<i>I</i>(<i>hkl</i>)> is the weighted average intensity for all observations <i>i</i> of reflection <i>hkl</i>.