Using a novel iterative structure factor retrieval algorithm, here I show that electron density can be directly calculated from solution scattering data without modeling. The algorithm was validated with experimental data from 12 different biological macromolecules. This approach avoids many of the assumptions limiting the resolution and accuracy of modeling algorithms by explicitly calculating electron density. This algorithm can be applied to a wide variety of molecular systems.

中文翻译：

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直接从溶液散射数据确定从头算电子密度

我使用新颖的迭代结构因子检索算法，在此表明，无需建模即可直接从溶液散射数据计算电子密度。该算法已用来自12种不同生物大分子的实验数据进行了验证。该方法避免了通过显式计算电子密度限制建模算法的分辨率和精度的许多假设。该算法可以应用于各种各样的分子系统。