This repository provides a description of the data analysis tools used for a sucrose nanocluster experiment which was performed at the Linac Coherent Light Source (LCLS) and is described in

Phay J. Ho et al. The role of transient resonances for ultra-fast imaging of single sucrose nanoclusters Nat. Comm. 11, 167 (2020). https://doi.org/10.1038/s41467-019-13905-9.

The processed and sized data has been deposited in the Coherent X-ray Imaging Data Base (CXIDB) with ID 119 and can be downloaded from here: http://cxidb.org/id-119.html

Run numbers and photon energies

Photon energy [eV]	Run numbers
530	6,8,9,11
800	12,47
1000	13
1140	14
1483	15

Data reduction and pre-processing

The data has been processed with Hummingbird using the configuration and tools deposited here: https://github.com/mhantke/electrospray_injection. The output of this processing pipeline is deposited in http://cxidb.org/data/119/preprocessed/.

Size and fluence determination for each sucrose nanocluster

For size/fluence determination of each single sucrose particle, the libspimage library has been used to fit the diffraction pattern of spheres to the data. An example tutorial for this sizing procedure is described in this repository: example.ipynb. This sizing pipeline has been applied to all sucrose events, the output is deposited in http://cxidb.org/data/119/sizing/.

Error analysis

It should be common practice to calculate the uncertainty for each size/fluence estimate, here is an example of how this can be done: error_analysis.ipynb. A more detailed description of this approach is given in the supplementary of the publication.