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How to use multiplicity density volume maps

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Xinren Chen Researcher Max Planck Institute for Sustainable Materials

Xinren Chen Administrator level 43 · 2026-09-19 13:28 UTC

APT Calibrator can map hit multiplicity density in the 3D reconstruction. Load an .epos file (POS has no multiplicity), then open Volume map.

Multiplicity density volume map

Full walkthrough video: https://dasapt.com/#features

Volume map

  1. Click Volume map on the toolbar.
  2. Set Quantity to Multiplicity density (hits/nm³).
  3. Choose the hit class under Hits: Multiples (2+), Singles, Doubles, Triples, 4+, or All ions.
  4. Set Voxel (nm), Display grid, and Delocalization (nm), then click Compute grid.
  5. Display can be Volume or Slice. Use the colormap, Min/Max, Highlight high values, and Clip outside reconstruction as needed.

You can also colour the atom view by multiplicity (Color by: Multiplicity) without computing a volume: singles, doubles, triples, and 4+ each get a legend colour.

APT Calibrator 可以把击中多重度密度画成三维体素图。请先载入 .epos(POS 没有多重度),再打开 Volume map。

完整演示视频:https://dasapt.com/#features

体素图

  1. 点工具栏 Volume map。
  2. Quantity 选 Multiplicity density (hits/nm³)。
  3. Hits 里选击中类别:Multiples (2+)、Singles、Doubles、Triples、4+ 或 All ions。
  4. 设置 Voxel (nm)、Display grid、Delocalization (nm),再点 Compute grid。
  5. Display 可选 Volume 或 Slice。可用色标、Min/Max、Highlight high values,以及 Clip outside reconstruction。

也可以不计算体素图,只在原子视图里把 Color by 设为 Multiplicity:单、双、三、4+ 会按图例着色。

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