coherent x-ray imaging (wbs 1.3) sébastien boutet

Sébastien [email protected]

LUSI DOE Review July 23, 2007CXI (WBS 1.3) 1

Coherent X-ray Imaging(WBS 1.3)

Sébastien Boutet

Coherent X-ray Imaging(WBS 1.3)

Sébastien Boutet

System Specifications System DescriptionWBSEarly ScienceSchedule and CostsSummary

System Specifications System DescriptionWBSEarly ScienceSchedule and CostsSummary



Science TeamScience Team

Specifications and instrument concept developed with the science team.

The CXI team leadersJanos Hajdu, Photon Science-SLAC, Uppsala University (leader)Henry Chapman, LLNLJohn Miao, UCLA

Specifications and instrument concept developed with the science team.

The CXI team leadersJanos Hajdu, Photon Science-SLAC, Uppsala University (leader)Henry Chapman, LLNLJohn Miao, UCLA



Molecular Structure Determination by Protein CrystallographyMolecular Structure Determination by Protein Crystallography

Molecular structure is crucial for medical applications.Inability to produce large high quality crystals is the main bottleneck.Radiation damage is overcome by spreading it over 1010 or more copies of the same molecule.

Molecular structure is crucial for medical applications.Inability to produce large high quality crystals is the main bottleneck.Radiation damage is overcome by spreading it over 1010 or more copies of the same molecule.



Coherent Diffractive Imaging of BiomoleculesCoherent Diffractive Imaging of Biomolecules

Combine 105-107 measurements into 3D dataset

Noisy diffraction pattern

XFEL pulse

Particle injectio

n

One pulse, one measurement

Gösta Huldt, Abraham Szöke, Janos Hajdu (J.Struct Biol, 2003 02-ERD-047)



Particle injection

LCLS beam

(focused, possibly optically compressed)

Optical and x-ray diagnostic

s

Pixel detector

Intelligent beam-stop (wavefront

sensor)

To Time Of Flight (TOF)

mass spectrometer

Conceptual Design of CXI InstrumentConceptual Design of CXI Instrument

Readout and reconstructi

on



CXI Science at LCLSCXI Science at LCLS

Short pulsesInstantaneous snapshots with no thermal fluctuations.Limited radiation damage during the exposure.

High brightnessGood signal-to-noise with a single shot.Smaller samples.

Spatial coherenceElimination of incoherent scattering which contributes to sample damage but not to the signal.

Short pulsesInstantaneous snapshots with no thermal fluctuations.Limited radiation damage during the exposure.

High brightnessGood signal-to-noise with a single shot.Smaller samples.

Spatial coherenceElimination of incoherent scattering which contributes to sample damage but not to the signal.

Scientific programsX-ray-matter interactions on the fs time scale.

Validation of damage models.

Structure determination from nanocrystals of proteins.Imaging of hydrated cells beyond the damage limit in 2D.Imaging of nanoparticles.Structure determination of large reproducible biomolecules.Structure determination of reproducible protein complexes and molecular machines.

Scientific programsX-ray-matter interactions on the fs time scale.

Validation of damage models.

Structure determination from nanocrystals of proteins.Imaging of hydrated cells beyond the damage limit in 2D.Imaging of nanoparticles.Structure determination of large reproducible biomolecules.Structure determination of reproducible protein complexes and molecular machines.



CXI SCOPE - WBS 1.3CXI SCOPE - WBS 1.3

Scope/CD-1 Estimate Includes:

Physics support & engineering integration

X-ray optics – Be lenses, K-B mirror systems, slit system, attenuator, pulse picker, x-ray pulse compressor

Sample Environment (chamber & sample diagnostics)

Single particle injector (LLNL MoU)

Laboratory facilities

Vacuum system

Installation

Diagnostics (WBS 1.5)

Controls and data system (WBS 1.6)



System SpecificationsSystem Specifications

Item Purpose Specification

Focusing optics

Produce required flux. Focal spot sizes of 10,1, 0.1 micron

Sample chamber

Vacuum sample env., reduced background

Vacuum below 10 -7 torr

Particleinjector

Deliver single particles in

the gas phase

Particle size range : 10 – 1000 nm

Particle beam focus < 150 microns

Detector Measurement of diffraction

pattern

2-D, 760 x 760 pixels, 120 Hz readout

110110 µm pixel size, with central hole (utilizing

LCLS det.)

Samplediagnostic

s

Analysis of samplefragments after Coulombexplosion

Ion TOF : resolution of one mass unit up to 100 AMUElectron TOF : Resolution of 10 -3

X-ray pulse

compressor

Reduce pulse length 20 fs pulse length



Coherent X-ray Imaging Instrument

Coherent X-ray Imaging Instrument

1 micronKB system

0.1 micronKB system

Sample Chamber with raster stage

LCLS detector

Wavefrontsensor

10 micron Be lens (not shown)

Particle injectorElectron/Ion TOFCryo-goniometer

X-ray Pulse compressor (not shown)



CXI System Description CXI System Description

1.3.1 Physics support and engineering integration1.3.2 X-ray optics 1.3.3 Sample environment 1.3.4 Laboratory facilities 1.3.5 Vacuum system1.3.6 Particle injector1.3.7 Installation

1.3.1 Physics support and engineering integration1.3.2 X-ray optics 1.3.3 Sample environment 1.3.4 Laboratory facilities 1.3.5 Vacuum system1.3.6 Particle injector1.3.7 Installation



1.3.2 X-ray opticsFocusing

Be lens for 10 micron focus K-B systems for 1 and 0.1 micron foci

Pulse compression opticsSlits, attenuators, pulse picker

Radiation damage resistant

1.3.3 Sample environmentSample chamber

Vacuum better than 10 -7 torrSample translation stagesCryo-goniometer

Sample diagnosticsIon and electron TOF mass spectrometer

Detector positioning 50-1500 mm from sample

1.3.2 X-ray opticsFocusing

Be lens for 10 micron focus K-B systems for 1 and 0.1 micron foci

Pulse compression opticsSlits, attenuators, pulse picker

Radiation damage resistant

1.3.3 Sample environmentSample chamber

Vacuum better than 10 -7 torrSample translation stagesCryo-goniometer

Sample diagnosticsIon and electron TOF mass spectrometer

Detector positioning 50-1500 mm from sample

CXI System Description (2)CXI System Description (2)



CXI System Description (3)CXI System Description (3)

1.3.4 Laboratory facilities1.3.5 Vacuum system1.3.6 Single particle injector (LLNL MoU)

Focused beam of particles of varying size

Particle size range: 10-1000 nm

Remotely controlledSteering range : 10 mm

Particle beam diagnosticsBeam positionBeam density

1.3.7 Installation

1.3.4 Laboratory facilities1.3.5 Vacuum system1.3.6 Single particle injector (LLNL MoU)

Focused beam of particles of varying size

Particle size range: 10-1000 nm

Remotely controlledSteering range : 10 mm

Particle beam diagnosticsBeam positionBeam density

1.3.7 Installation



1.3 WBS to Level 41.3 WBS to Level 41.3

Coherent X-ray Imaging

1.3.1Physics SupportEng. Integration

1.3.2X-ray Optics

1.3.3Sample

Environment

1.3.4Laboratory Facilities

1.3.5Vacuum

1.3.2.1K-B System

1.3.3.1Sample Chamber

1.3.2.2Be Lens

1.3.2.3Slit System

1.3.2.4 Attenuators

1.3.2.5Compressor

1.3.3.2Ion TOF

1.3.3.3Electron TOF

1.3.3.4Precision

InstrumentStand

1.3.4.1Electrical

1.3.4.4Radiation Physics

1.3.4.3Hutch Furniture

1.3.4.2Control Room

Furniture

1.3.5.1Vacuum

Hardware

1.3.5.2Bellows

1.3.5.3Spools

1.3.5.4Vacuum Supports

1.3.7Installation

1.3.6Injector

1.3.6.11st Article – MoU

LLNL

1.3.7.1Non-recurring Engineering

1.3.7.2Installation LCLS

CD-4a

1.3.7.3Installation LCLS

CD-4b

1.3.7.4Complete

Installation LUSI CD-4



CD 4a CXI InstrumentationCD 4a CXI Instrumentation

Sample Chamber with raster stage

LCLS detector

10 micronBe lens

Particle injectorElectron/Ion TOF (existing 1st article)



CD 4a CXI ScienceCD 4a CXI Science

Proof of principle imaging of test objects at diffraction limited resolution with a single LCLS shot.Measurement of damage during pulse and comparison to damage models.

Known samples on substratesKnown virusesLatex nano-spheres

Damage versus fluence measurements.Analysis of sample fragments with TOF mass spectrometers.

Proof of principle imaging of test objects at diffraction limited resolution with a single LCLS shot.Measurement of damage during pulse and comparison to damage models.

Known samples on substratesKnown virusesLatex nano-spheres

Damage versus fluence measurements.Analysis of sample fragments with TOF mass spectrometers.

Neutze, R. Wouts, D. van der Spoel, E. Weckert, and J. Hajdu, Nature, 406, 752-757 (2000).

low fluence

high fluence



CD 4a CXI Science (2)CD 4a CXI Science (2)

Study of radiation damage mitigation techniques.Thin tamper layers around a single molecule may slow the damage process.

Macromolecular structure determination from nanocrystals of proteins.

Proteins that form nanocrystals but do not form large crystals suitable for crystallography at synchrotron source.3D diffraction pattern built from multiple injected nanocrystals.

Relative orientation of each crystal determined from common lattice structure.

Imaging of hydrated cells beyond the damage limit in 2D.Existing injector technology can provide sufficient hit rate for imaging of injected cells.10 micron X-ray focus can provide sufficient signal.

Study of radiation damage mitigation techniques.Thin tamper layers around a single molecule may slow the damage process.

Macromolecular structure determination from nanocrystals of proteins.

Proteins that form nanocrystals but do not form large crystals suitable for crystallography at synchrotron source.3D diffraction pattern built from multiple injected nanocrystals.

Relative orientation of each crystal determined from common lattice structure.

Imaging of hydrated cells beyond the damage limit in 2D.Existing injector technology can provide sufficient hit rate for imaging of injected cells.10 micron X-ray focus can provide sufficient signal.



CXI Schedule in Primavera 3.1CXI Schedule in Primavera 3.1



CXI MilestonesCXI Milestones

CD-1 Aug 01, 07Conceptual Design Complete Oct 03, 07CD-2a Dec 03, 07CD-3a July 21, 08Phase I Final Design Complete Aug 12, 08Receive Sample Chamber Nov 11, 08Receive Focusing Lenses Feb 26, 09Receive Pulse Picker Mar 13, 09Phase I Installation Complete Aug 26, 09CD-4a Feb 08, 10

CD-1 Aug 01, 07Conceptual Design Complete Oct 03, 07CD-2a Dec 03, 07CD-3a July 21, 08Phase I Final Design Complete Aug 12, 08Receive Sample Chamber Nov 11, 08Receive Focusing Lenses Feb 26, 09Receive Pulse Picker Mar 13, 09Phase I Installation Complete Aug 26, 09CD-4a Feb 08, 10



CXI Cost Estimate CXI Cost Estimate

Direct Cost $6,706.1PED $1,320.0MS&T $4,836.1ASSY $550.0

Indirect Cost $1,360.0Escalation $530.0Total Cost $8,596.1

Associated Contingency 33.8%



SummarySummary

Instrument concept advanced100% of Letters of Intent are represented in instrument concept

Instrument concept is based on proven developments made at FLASH and SR sourcesInitial specifications well developedReady to proceed with baseline cost and schedule development

Instrument concept advanced100% of Letters of Intent are represented in instrument concept

Instrument concept is based on proven developments made at FLASH and SR sourcesInitial specifications well developedReady to proceed with baseline cost and schedule development

coherent x-ray imaging (wbs 1.3) sébastien boutet

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