XRD1 Specifications

This page is a list of all the important parameters of the beamline and an indication of all the available instrumentation.
In case more details are needed you can contact directly the beamline scientists.

CAD Draw showing the different sections/hutches of the beamline

X-rays at sample

Energy range 4-21.5 keV
Photon Flux 1012-1013 ph/sec
Beam Size at sample 0.7 x 0.2 mm2 FWHM (unconstricted; precision slits for beam shaping)
Angular divergence 2.3 mrad x 0.3 mrad FWHM

 









Source

Type Insertion Device: NdBFe Multipole Wiggler (Hybrid linear)
Section 5.2
Gap 22 mm
Poles 57
Period 140 mm
N. of periods 3 x 9.5
B0 1.607 T
Ec 4.27 keV
K 21
Source Size FWHM   2.0 x 0.37mm
Power (9mrad)   8.2 kW

 










 

 




 

Optics

Collimating Mirror

Cilindrical Mirror with 50 nm Pt-coating
Radius (calculated) = 14.8 km
Distance from source = 21873 mm
Incidence angle = 3 mrad

Monochromator

 Fixed exit Double Crystal Si111 with LN2 cloosed loop cooling
Distance from source = 24059 mm
Energy range = 4-21 keV
Energy resolution = 10-4 for routine experiments and MAD experiments
Fine tuning with piezo actuator; feedback from 4-quadrant ion chamber
Focusing mirror Toridal Mirros with 50 nm Pt-coating
Tangential radius = 9.31 km
Sagittal radius = 55.27 mm
Distance from source = 28018 mm
Incidence angle = 3 mrad

 






 



 



Main Setup 

Gonimeter Type Huber Kappa Goniometer
Circle Axis Omega - Kappa - Phi - 2Theta (for detector) 
Two rotational stages assembled together in a 60° kappa geometry. 
A further circle rotates the Kappa unit around a horizontal axis.
Linear Axis XYZ-stage on top of Phi for the fine adjustment of the sample
Sphere of Confusion 20 µm
Standard Configurations Left (Kappa = 0) for data collection
Top (Kappa = -109.471 Omega = -125.264) for sample mounting
Bottom (Kappa = 109.471 Omega = 54.736) for grazing incidence experiments
Triclinic (Kappa=-30 Omega=54.736) for merging with Left to get completeness on triclinic crystal systems 
Alignment Base 5 axis Optical Table for alignment of the Goniometer with Beam with feedback from 4-quadrants Beam Position Monitor (Alibava)
Notes
XYZ-stage with standard mount according to ACA/IUC for Huber/Hampton standard goniometer heads
Motor and signal currents are transmitted via slip rings enabling unrestricted kappa and phi rotation.

Accessories

Goniometer Heads XYZ Standard; XYZ Short Standard; XYRyRx
Magnetic base or Brass specimen pin
Additional Stage XZTheta additional stage (used in general for High Pressure Cell alignment)
Temperature Control Oxford Cryostrem 700: N2 laminar flow for temperature range 80 – 400 K
Sample Changer Internally developed. 















Dectris Pilatus 2M (Main Detector)

Type CMOS hybrid-pixel technology operating in single-photon-counting mode
3 x 8 Modules
Sensor Si 320 µm thick (room temperature; water circuit)
Pixel Size 172 x 172 µm2
Point-spread function 1 pixel
Format 1475 x 1679 = 2476525 pixels
Area 254 x 289 mm2
Distance from sample 82 - 1060 mm
Intermodule gap x: 7 pixels, y: 17 pixels, 8.0% of total area
Dynamic Range 20 bits (1:1,048,576)
Readout time 3.6 ms (frame rate 30 Hz)
Adjustable threshold range 2- 20 keV (energy resolution 500 eV)
Energy range 3 - 30 keV  (quantum efficiency: 3 keV 80%; 8 keV 99%; 15 keV 55%)
Counting rate per pixel > 2 x 106 X-ray/s
Data Formats CBF (mosflm, xds); TIF (fit2d, AreaDiffractionMachine)


MarResearch MarCCD 165 (offline, on 2theta Goniometer arm)

Type Single CCD, single fiber-optic sensor
Sensor CCD 61mm x 61mm; 4096 x 4096 15μm pixels (-70°C)
Fiber-optic Taper Demagnification Ratio 2.7:1
Pixel Size (image) 79.1685 μm (2048 x 2048, 2x2 binning)
Point-spread function 100 μm FWHM (Phosphor 40μm thick)
Active Imaging Surface Round, 165mm diameter (21,000mm²)
Distance from sample 60 - 565 mm, mounted on the 2theta arm of the huber goniometer
Readout Electronics 4-channel readout; 16-bit ADCs
Readout Time 2.5 s (x2 binning)
Readout Noise
13e⁻/pixel @ 2.5 sec readout
Dark Current <0.01e⁻/pixel/sec @ 2048 x 2048 pixels
DQE Up to 0.8 for 8KeV to 12keV radiation
Sensitivity (Gain) 6e⁻/12keV photon
Full Well Capacity 400,000e-/pixel = 51,000 12keV photons/pixel @ 2048 x 2048 pixels
Data Format mccd (mosflm, xds, fit2d, AreaDiffractionMachine)






























Amptek X-123 SSD

Type Fluorescence
Sensor Silicon Drift Detector (SDD) for X-Ray detection (500 µm)
Detector size 25 mm2
Electronic Noise (typical) 73 eV FWHM (8.7 e- rms)
FWHM 55Fe 5.9 keV peak 125-140 eV










Other Experimental Setup

On-Axis Camera Sample visualization: Arinax BZoom system (1 x 1.2 mm2 at x1,down to x7 available).
Al Attenuators 150, 250, 800, 2500  μm and combinations 
Beam defining apetures Pt/Ir : 200, 100, 50, 20, 5 μm
Xcell Xe pressure cell










Software for Crystallography

Software Version
ccp4 7.0.65
XtalView 4.1
expo 1.14.10
fit2d 18.002
hkl2map 0.4b
ilmilione 2.2.0
MIFit 2010.10
pymol 1.7.1.3
shelxle 1.0.664
shelx 2006_3-1
xds 20190315
fityk 1.2.1
GIDVis 2020
Last Updated on Monday, 29 May 2023 10:40