Data and Code for "Cholesterol Modulates Membrane Elasticity via Unified Biophysical Laws"

This data set contains data collected on lipid membranes consisting of phosphocholine lipids with varying amounts of cholesterol. The data files include:Neutron-spin echo (NSE) spectroscopy data on unilamellar vesicles for dynamic measurements of membrane bending fluctuations used to obtain the reported bending moduli.Small-angle X-ray scattering (SAXS) data on unilamellar vesicles for measurements of structural membrane parameters used to obtain membrane thickness and lipid packing density.Small-angle neutron scattering (SANS) data on unilamellar vesicles for measurements of structural membrane parameters used to obtain membrane thickness and lipid packing density.Solid-state deuterium nuclear magnetic resonance (²H NMR) data on multilamellar lipid stacks for static measurements of the order parameter and dynamic measurements of the relaxation rates.Trajectories for all-atom molecular dynamics (MD) simulations on all bilayers reported in this study (links to Zenodo repositories).Code (.c and .py files) applied in fitting SAXS and SANS data in the form of a five-shell vesicle model (to be used as a plug-in model in the SasView data fitting package SasView 5.0.6), along with installation and data fitting instructions.Code (.fdf file) applied in fitting the decays for NSE bending fluctuation spectra (to be used as a fitting function in Origin, Origin 2021b), along with installation and data fitting instructions.Code (.m files) applied in processing and analyzing solid-state ²H NMR data (to be used as MATLAB scripts, MATLAB 2021a), along with installation and run instructions.<br>

本数据集包含由不同含量胆固醇的磷酰胆碱脂质构成的脂质膜的相关采集数据。数据文件涵盖以下类型：
1. 中子自旋回波（Neutron-spin echo, NSE）光谱数据：针对单层囊泡的膜弯曲涨落动态测量数据，用于提取报告中提及的弯曲模量参数；
2. 小角X射线散射（Small-angle X-ray scattering, SAXS）数据：针对单层囊泡的膜结构参数测量数据，用于获取膜厚度与脂质堆积密度；
3. 小角中子散射（Small-angle neutron scattering, SANS）数据：针对单层囊泡的膜结构参数测量数据，用于获取膜厚度与脂质堆积密度；
4. 固态氘核磁共振（²H NMR）数据：针对多层脂质堆叠体的静态有序参数测量与弛豫速率动态测量数据；
5. 本研究中所有报道双层膜的全原子分子动力学（Molecular Dynamics, MD）模拟轨迹，相关数据存储于Zenodo仓储库，附带下载链接；
6. 配套代码与操作说明：
- 采用五壳层囊泡模型拟合SAXS与SANS数据的代码（包含.c与.py格式文件），可作为插件模型用于SasView数据拟合软件SasView 5.0.6，同时附带安装与数据拟合操作指南；
- 用于拟合NSE膜弯曲涨落光谱衰减曲线的代码（.fdf格式文件），可作为拟合函数应用于Origin 2021b版本软件，同时附带安装与数据拟合操作指南；
- 用于处理与分析固态²H NMR数据的MATLAB脚本（.m格式文件，适配MATLAB 2021a版本），同时附带安装与运行操作指南。