Phase Retrieval Workshop 2021


BioXFEL sponsored a remote Phase Retrieval Workshop Monday, October 18 through Tuesday, October 19 2021. The workshop featured a mix of lectures and virtual demonstrations delivered by BioXFEL staff, scholars, and collaborators.

This two-day online event was delivered to an international audience of over 60 people. On the first day we held a teaching session where we covered the basic math, physics, algorithms, and biological applications of phase retrieval methods. Day 2 was focused on research talks presented by invited speakers discussing their current research pertaining to phase retrieval methods. The talks were recorded and posted to YouTube. Below you will find the first video in the series.


Invited Speakers and Lecturers:

Joe Chen (ASU) Organizer

Jeffrey Donatelli (LBNL) Organizer

Kanupriya Pande (LBNL) Organizer

Zixi Hu (LBNL)

Rainier Mobley (ASU)

Rick Kirian (ASU)

Tom Grant (UB)

Elijah Gonzalez (Rice University)

George Phillips (Rice University)

Sabine Botha (ASU)

Dorothee Liebschner (LBNL)

Iris Chang (SLAC)


Phase Retrieval Workshop 2021 Agenda

Day 1 Teaching Talks




Welcome and Introduction

Joe Chen

Physics and Fourier optics

Rick Kirian

Coherent Diffractive Imaging and Phase Retrieval Algorithms

Jeff Donatelli 

Basic phasing with Python Hands-on tutorial

Joe Chen

Break (1 hr) 

Basic introduction to crystallography for those who need it.

Joe Chen

Crystallographic phasing (MAD/SAD)

Sabine Botha

Crystallographic phasing (MR/Direct method)

George Phillips

The discrete Fourier transform and the phase problem for 2D and 1D crystals

Rick Millane 


Joe Chen




Day 2 Research Talk Speakers





Multi-tiered iterative phasing for solving complex inverse problems

Jeff Donatelli 


A mathematical algorithm for estimating rotational diffusion coefficient from X-ray photon correlation spectroscopy data

Zixi Hu


Scaling and accelerating algorithms for single-particle imaging

Iris Chang


The Monte Carlo expand-maximize-compress algorithm

Benjamin Mobely


Break (1 hr) 



Phase retrieval for 1D solution scattering profiles

Tom Grant

University at Buffalo

Ab initio structure determination from fluctuation x-ray scattering

Kanupriya Pande


Ab initio phasing of high solvent content crystals using a hybrid input-output algorithm

Elijah Gonzalez

Rice University

Phase determination in Macromolecular crystallography with Phenix

Dorothee Liebschner