Raw Data and analysis flowcharts for the research article: Comparative Evaluation of Encapsulation Methods for Endohedral Doping of Single-Wall Carbon Nanotubes

This contains the research data and analysis flowcharts associated to the paper "Comparative Evaluation of Encapsulation Methods for Endohedral Doping of Single-Wall Carbon Nanotubes". It contains spectroscopy data from Absorption, Raman, Fluorescence and electron paramagnetic resonance spectroscopy as well as data from thermogravimetric analysis. For each data set the analysis flowchart to create the manuscript figures is added as an .m file, created in Matlab version R2025b. File Formats: - Absorption spectroscopy: (Figure 4, Figure 5, Figure 9) * Raw data of samples and baselines .DSW, .csv or .xlsx obtained with a CARY 5000 UV-VIS-NIR spectrometer * The .m file creates the corresponding Figure in Matlab, including analysis flowchart (baseline subtractions and dilution corrections, normalization and plotting) - fluorescence spectroscopy: (Figure 10) * .txt files - obtained with an in-house developed spectrometer * .m files that include the data correction for sensitivity, intensity and wavelength calibration as well as reabsorption in the fluorescence cell * .mat files representing the data after correction * .m file for creating Figure 10 of the manuscript - Raman spectroscopy (Figure 2, Figure 3, Figure 6 and Figure 9) * raw ".m3d" files obtained with a DILOR XY800 spectrometer and laser excitation at 514.5nm. Each spectrum is measured 10 times after which a multimedian filtering needs to be applied. * The resulting corrected spectra are provided in the .mat files that contain the spectra and their names. * The .m file creates the corresponding Figure in Matlab, including baseline correction and normalization of the data, as well as Lorentzian fits of the RBMs or G or 2D bands. - Thermogravimetric analysis: *.txt files - obtained with Mettler Toledo TGA/DSC 3+ * .m file that analyses the data by (1) creating the DTGA curves, (2) fitting the DTGA curves with a sum of Gaussian functions (3) Calculating the weight percentages and plotting the data - EPR spectroscopy: *.DSC and .DTA - obtained with Bruker Elexys-II E500 X-band spectrometer * Data can be read in MATLAB using the easyspin simulation package * .m file with the data analysis (baseline, normalization, ...)本数据集包含与论文《单壁碳纳米管笼内掺杂封装方法的对比评估》（*Comparative Evaluation of Encapsulation Methods for Endohedral Doping of Single-Wall Carbon Nanotubes*）相关的研究数据与分析流程图。数据集涵盖吸收光谱、拉曼光谱、荧光光谱及电子顺磁共振波谱（electron paramagnetic resonance spectroscopy）的实验数据，同时包含热重分析数据。针对每一组数据，均附带用于生成论文配图的分析流程图Matlab脚本（.m文件），该脚本基于Matlab R2025b版本编写。 文件格式： - 吸收光谱（对应图4、图5、图9） * 样品与基线原始数据格式为.DSW、.csv或.xlsx，由CARY 5000紫外-可见-近红外分光光度计采集得到； * 配套.m文件可在Matlab中生成对应配图，包含基线扣除、稀释校正、归一化及绘图等分析流程。 - 荧光光谱（对应图10） * 原始数据为.txt格式文件，由自研分光光度计采集； * 配套.m文件包含灵敏度校正、强度校正、波长校准及荧光池内再吸收校正等数据处理流程； * 提供校正后数据的.mat格式文件； * 附带用于生成论文图10的.m文件。 - 拉曼光谱（对应图2、图3、图6及图9） * 原始数据为.m3d格式文件，由DILOR XY800分光光度计采集，采用514.5nm激光激发。每条光谱需重复测量10次后应用多中值滤波处理； * 校正后的光谱数据存储于.mat文件中，包含光谱信息及其命名； * 配套.m文件可在Matlab中生成对应配图，包含数据基线校正、归一化，以及径向呼吸模（RBM）、G带或2D带的洛伦兹拟合流程。 - 热重分析 * 原始数据为.txt格式文件，由梅特勒托利多（Mettler Toledo）TGA/DSC 3+仪器采集； * 配套.m文件可完成以下数据分析：(1) 生成DTGA曲线，(2) 采用高斯函数之和拟合DTGA曲线，(3) 计算质量百分比并绘制数据图。 - 电子顺磁共振波谱 * 原始数据格式为.DSC和.DTA，由Bruker Elexys-II E500 X波段分光光度计采集； * 数据可通过EasySpin仿真包在Matlab中读取； * 附带数据分析.m文件，包含基线校正、归一化等处理流程。