Dataset Open Access
Svensson, Pontus;
Kalkavouras, Fotios;
Hernandez Acosta, Uwe;
Moldabekov, Zhandos;
Tolias, Panagiotis;
Vorberger, Jan;
Dornheim, Tobias
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| All versions | This version | |
|---|---|---|
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| Downloads | 36 | 36 |
| Data volume | 290.6 kB | 290.6 kB |
| Unique views | 36 | 36 |
| Unique downloads | 34 | 34 |