The accuracy of absorption-based measurement is directly linked to the fidelity of the pressure- and temperature-dependent reference absorption cross-sections used for fitting and data interpretation. For large, complex molecules or species for which line-by-line absorption databases do not exist, cross-sections are often measured in the laboratory at a particular set of known temperature and pressure conditions and published for use as reference spectra. For subsequent simulations or measurements at conditions between or outside of the reference conditions, no exact reference cross-sections exist. We propose a technique which enables the scaling of reference absorption cross-sections to different pressures. Pressure influences the shape of the cross-section through collisional broadening. We modify the collisional broadening of the cross-section by performing an inverse Fourier transform on the dataset to view the free induction decay of the molecule, and then computationally adjusting the decay rate of the FID. This effectively pressure scales the broadening parameters of the multitude of contributing molecular resonances. The technique is validated here against reference absorption cross-sections, and can yield residuals between modified and measured reference spectra below one percent. The approach is simple to apply, and allows users to generate reference cross-sections at any pressure above the pressure condition of the reference dataset. It therefore also significantly reduces the need to measure reference absorption cross-sections at many pressures.

基于吸收的测量的准确性与用于拟合和数据解释的压力和温度相关的参考吸收截面的保真度直接相关。对于不存在逐行吸收数据库的大型复杂分子或物种，通常在实验室中在一组特定的已知温度和压力条件下测量横截面，并将其公开用作参考光谱。对于随后在参考条件之间或之外的条件下进行的模拟或测量，不存在确切的参考横截面。我们提出了一种技术，该技术能够将参考吸收截面的比例缩放到不同的压力。压力通过碰撞加宽影响横截面的形状。我们通过对数据集执行傅立叶逆变换来查看分子的自由感应衰变，然后通过计算调整FID的衰变率，来修改横截面的碰撞展宽。该压力有效地缩放了促成分子共振的众多分子的扩展参数。该技术已针对参考吸收截面进行了验证，并且可以在修改后的和测量的参考光谱之间产生低于1％的残差。该方法易于应用，并且允许用户在高于参考数据集压力条件的任何压力下生成参考横截面。因此，它也大大减少了在许多压力下测量参考吸收截面的需要。