dorsal/arxiv
View SchemaSPEDEN: Reconstructing single particles from their diffraction patterns
| Authors | S. P. Hau-Riege, H. Szoke, H. N. Chapman, A. Szoke, S. Marchesini, A. Noy, H. He, M. R. Howells, U. Weierstall, J. C. H. Spence |
|---|---|
| Categories | |
| ArXiv ID | physics/0403091 |
| URL | https://arxiv.org/abs/physics/0403091 |
| DOI | 10.1107/S0108767304010293 |
| Journal | Acta Cryst. A60, 294-305 (2004). |
Abstract
Speden is a computer program that reconstructs the electron density of single particles from their x-ray diffraction patterns, using a single-particle adaptation of the Holographic Method in crystallography. (Szoke, A., Szoke, H., and Somoza, J.R., 1997. Acta Cryst. A53, 291-313.) The method, like its parent, is unique that it does not rely on ``back'' transformation from the diffraction pattern into real space and on interpolation within measured data. It is designed to deal successfully with sparse, irregular, incomplete and noisy data. It is also designed to use prior information for ensuring sensible results and for reliable convergence. This article describes the theoretical basis for the reconstruction algorithm, its implementation and quantitative results of tests on synthetic and experimentally obtained data. The program could be used for determining the structure of radiation tolerant samples and, eventually, of large biological molecular structures without the need for crystallization.
{
"annotation_id": "76d697a8-d40d-4036-b907-4f59b7dcdb44",
"date_created": "2026-03-02T18:00:49.891000Z",
"date_modified": "2026-03-02T18:00:49.891000Z",
"file_hash": "77d0705652b3ae97e1f4c46caefe3fa38a22921b923d3d36c76f5a7323fd2efb",
"private": false,
"record": {
"abstract": "Speden is a computer program that reconstructs the electron density of single\nparticles from their x-ray diffraction patterns, using a single-particle\nadaptation of the Holographic Method in crystallography. (Szoke, A., Szoke, H.,\nand Somoza, J.R., 1997. Acta Cryst. A53, 291-313.) The method, like its parent,\nis unique that it does not rely on ``back\u0027\u0027 transformation from the diffraction\npattern into real space and on interpolation within measured data. It is\ndesigned to deal successfully with sparse, irregular, incomplete and noisy\ndata. It is also designed to use prior information for ensuring sensible\nresults and for reliable convergence. This article describes the theoretical\nbasis for the reconstruction algorithm, its implementation and quantitative\nresults of tests on synthetic and experimentally obtained data. The program\ncould be used for determining the structure of radiation tolerant samples and,\neventually, of large biological molecular structures without the need for\ncrystallization.",
"arxiv_id": "physics/0403091",
"authors": [
"S. P. Hau-Riege",
"H. Szoke",
"H. N. Chapman",
"A. Szoke",
"S. Marchesini",
"A. Noy",
"H. He",
"M. R. Howells",
"U. Weierstall",
"J. C. H. Spence"
],
"categories": [
"physics.optics"
],
"doi": "10.1107/S0108767304010293",
"journal_ref": "Acta Cryst. A60, 294-305 (2004).",
"title": "SPEDEN: Reconstructing single particles from their diffraction patterns",
"url": "https://arxiv.org/abs/physics/0403091"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "73b5d2d5-8a2b-43bf-aeaa-0f276a375957",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}