diff --git a/docs/CPU_DATA_ANALYSIS.md b/docs/CPU_DATA_ANALYSIS.md index bf987c50..8c813f34 100644 --- a/docs/CPU_DATA_ANALYSIS.md +++ b/docs/CPU_DATA_ANALYSIS.md @@ -156,18 +156,33 @@ Jungfraujoch uses $|\Delta_\mathrm{Ewald}|$ as an operational proxy for excitati Two exact facts about a rotation sweep let the direct beam be measured from spot positions alone, before anything is indexed (`--estimate-beam-center`). -**Friedel mates half a turn apart.** Rotating 180° about the spindle $\mathbf{m}$ and taking $-h$ -negates a reflection's component along $\mathbf{m}$ and leaves the rest. With the spindle -perpendicular to the beam this preserves $\mathbf{q}\cdot\mathbf{S}_0$, so $-h$ satisfies the Laue -condition at $\varphi+180°$ exactly where $h$ satisfies it at $\varphi$, and the spots recorded half a -turn apart are mirror images along the spindle direction. This gives the beam coordinate **along** -the spindle. Note these are Friedel mates, not the same reflection. +**Friedel mates half a turn apart.** The Laue condition fixes one component of $\mathbf{q}$, the one +along the beam: $q_\parallel = -\lVert\mathbf{q}\rVert^2\lambda/2$. Rotating 180° about the spindle +$\mathbf{m}$ negates the two components perpendicular to $\mathbf{m}$; taking $-h$ negates all three. +Composing the two therefore negates **only** the component along $\mathbf{m}$ and leaves the other +two, including $q_\parallel$ — so when the spindle is perpendicular to the beam, $-h$ satisfies the +Laue condition at $\varphi+180°$ **exactly** where $h$ satisfies it at $\varphi$, and its spot sits at +the mirror image of $h$'s along the spindle direction. This gives the beam coordinate **along** the +spindle. + +These are Friedel mates, not the same reflection, and they are *not* recorded simultaneously: the +curvature of the Ewald sphere is what separates them by half a turn instead of exciting both at once +as a near-flat sphere would. Note also that only the *positions* are used here, and those follow from +the reciprocal lattice being centrosymmetric — $-h$ is a lattice point whenever $h$ is, for every +crystal whatever its point group. Friedel's law $|F(h)| = |F(-h)|$ is not needed for the geometry; it +is used only to tell a true pairing from an accidental one, and it is what anomalous scattering +slightly violates. + +Because a pair needs both $\varphi$ and $\varphi+180°$ to have been recorded, a sweep of $S°$ yields +only $S-180$ degrees' worth of pairs. **A sweep of exactly half a turn yields none**, and one a few +degrees longer yields correspondingly few — which is why the useful range begins well above 180° and +why a full turn, where every reflection has its mate, is the comfortable case. **The second crossing.** The same reflection meets the Ewald sphere twice, at two angles that are generally *not* 180° apart, differing only in the sign of the lab component perpendicular to both -$\mathbf{m}$ and the beam. This gives the remaining coordinate. The two crossings are separated by a -sweep angle fixed by the reflection's own position, so genuine pairs are identified without a cell or -an orientation matrix. +$\mathbf{m}$ and the beam. This gives the remaining coordinate, and it is available within a sweep +shorter than half a turn. The two crossings are separated by a sweep angle fixed by the reflection's +own position, so genuine pairs are identified without a cell or an orientation matrix. Neither observable requires the reflections to be indexed: each candidate pairing votes for a beam coordinate, and the true value accumulates while wrong pairings scatter.