/******************************************************************************* * Instrument: SOLEIL_PX2a * * %Identification * Written by: M. Savko and E. Farhi * Date: 2022-03-23 * Origin: Synchrotron SOLEIL * %INSTRUMENT_SITE: SOLEIL * * The PROXIMA-2a MX beam-line at Synchrotron SOLEIL. * * %Description * PROXIMA 2A (PX2-A) is a microfocus beamline dedicated to biological * crystallography and innovative micro-beam methodologies. Opened to the * scientific community since 2013, the topics treated on the beamline go beyond * standard protein crystallography and include drug discovery, membrane proteins, * virus crystallography, small molecule crystallography, powder diffraction and * even crystalluria. The beamline is highly automated and designed to help * scientists tackle the most challenging structural targets and biological * systems. The X-ray energy is rapidly tunable over a wide range (6-18 keV) making * the most commonly used absorption edges accessible for anomalous diffraction * experiments. The end station is equipped with a high capacity sample-changing * system (148 SPINE pins), a high performance micro-diffractometer with a * mini-kappa (MD2), an X-ray fluorescence detector (KETEK), and a fast, low-noise, * photon-counting, area detector - the EIGER X 9M (238 fps in 9M mode, 750 fps in * 4M mode). * * This is a simplified model with an Undulator, mirrors, a double crystal * monochromator, a sample stage and a detector. * * %Example: PX2a_E0=12.65 sample="Mo.lau" PX2a_SPLITs=1500 PX2a_sample_monitor_I=1.53453e+20 * * %Parameters * PX2a_E0: [keV] Energy selected at the Undulator. * PX2a_hfm_radius: [m] horizontally focusing mirror radius * PX2a_vfm_radius: [m] vertically focusing mirror radius * PX2a_mirror_grazing_angle: [deg] Tilt angle of the mirrors. * PX2a_sample:[str] Sample structure file, LAU/CIF format. * PX2a_rotX: [deg] Sample rotation around X * PX2a_rotY: [deg] Sample rotation around Y * PX2a_rotZ: [deg] Sample rotation around Z * splits: [1] Number of SPLIT repetitions at the sample * * %Link * https://www.synchrotron-soleil.fr/en/beamlines/proxima-2a * * %End *******************************************************************************/ DEFINE INSTRUMENT SOLEIL_PX2a( PX2a_E0=12.65, PX2a_hfm_radius=495, PX2a_vfm_radius=859, PX2a_mirror_grazing_angle=4e-3, string PX2a_sample="adrenaline.lau", PX2a_rotX=0, PX2a_rotY=0, PX2a_rotZ=0, int splits=10) DEPENDENCY " -DMCSX_REFL_SLIST_SIZE=1024 " DECLARE %{ double PX2a_calculated_angle; %} USERVARS %{ int PX2a_flag_hfm; int PX2a_flag_vfm; %} INITIALIZE %{ { double arg= 12398.42*sqrt(3)/(2*5.4309*PX2a_E0*1e3); if (fabs(arg) > 1) exit(fprintf(stderr, "ERROR: Monochromator can not reach this energy (arg=%g > 1)\n", arg)); PX2a_calculated_angle = RAD2DEG*asin(arg); /* Ensure that we are running with at least 1e7 neutrons/core if not 'displaying' */ #ifndef USE_MPI #define mpi_node_count 1 #endif if (!mcdotrace) { if (mcget_ncount()<=1e7) { MPI_MASTER(printf("WARNING: This instrument needs at least %llu statistics to converge. Currently ncount=%llu to ",mpi_node_count*1e7, mcget_ncount())); } } } %} TRACE // electronic beam spec along storage ring 354m diameter // BeamLineName| Long_Pos(m)| RMS_H_Size(µm)| RMS_V_Size(µm)| RMS_H_div(µrad)| RMS_V_div(µrad) // -----|--------|-----|---|----|-- // PX2sp|222,8306|219,1|9,8|31,6|3,7 REMOVABLE COMPONENT PX2a_Origin = Progress_bar() AT (0,0,0) ABSOLUTE // Undulator U24 COMPONENT PX2a_undulator = Undulator( E0=PX2a_E0, dE=.1, Ee=2.75, dEe=0.001, Ie=0.5, K=1.788, Nper=80, lu=2.4e-2, sigey=9.8e-6, sigex=219.1e-6, sigepx=31.6e-6, sigepy=3.7e-6, dist=29.5, E1st=12.400) AT (0, 0, 0) RELATIVE PREVIOUS // Channel_cut Si(111) --------------------------------------------------------- // gap 6 mm COMPONENT PX2a_bragg_crystal_location = Arm() AT (0,0,29.5) RELATIVE PREVIOUS COMPONENT PX2a_bragg_crystal = Bragg_crystal( crystal_type=2) AT (0, 0, 0) RELATIVE PREVIOUS ROTATED (-PX2a_calculated_angle, 0, 0) RELATIVE PREVIOUS COMPONENT PX2a_arm = Arm() AT (0, 0, 0) RELATIVE PREVIOUS ROTATED (-PX2a_calculated_angle, 0, 0) RELATIVE PREVIOUS COMPONENT PX2a_bragg_crystal_two = Bragg_crystal( crystal_type=2) AT (0, 0.006, PX2a_calculated_angle ? 0.006/tan(PX2a_calculated_angle*DEG2RAD) : 0) RELATIVE PX2a_bragg_crystal ROTATED (PX2a_calculated_angle, 0, 0) RELATIVE PREVIOUS COMPONENT PX2a_arm_two = Arm() AT (0, 0, 0) RELATIVE PX2a_bragg_crystal_two ROTATED (PX2a_calculated_angle, 0, 0) RELATIVE PX2a_bragg_crystal_two COMPONENT PX2a_bragg_crystal_out = E_monitor(Emin=PX2a_E0-.1, Emax=PX2a_E0+.1, nE=512, xwidth=0.1, yheight=0.1) AT(0,0,0.2) RELATIVE PREVIOUS // horizontal pre-focusing curved mirror (XZ -> YZ plane) ---------------------- COMPONENT PX2a_hpm_location = Arm() AT (0,0,32.1-29.5-0.05) RELATIVE PX2a_arm_two COMPONENT PX2a_hpm_in_yz_plane = Arm() AT (0,0,0) RELATIVE PX2a_hpm_location ROTATED (0,0,90) RELATIVE PX2a_hpm_location COMPONENT PX2a_hpm = Mirror_toroid( coating = "Ir.dat", //This needs to be Rh.dat, will need to generate the file with xraydb zdepth = 150e-3, xwidth = 15e-3, radius = 495, radius_o = 1000) AT (0,0,0) RELATIVE PX2a_hpm_in_yz_plane ROTATED (PX2a_mirror_grazing_angle, 0, 0) RELATIVE PX2a_hpm_in_yz_plane COMPONENT PX2a_hpm_takeoff = Arm() AT (0,0,0) RELATIVE PX2a_hpm_location ROTATED (0, 2*PX2a_mirror_grazing_angle, 0) RELATIVE PX2a_hpm_location // KB pair --------------------------------------------------------------------- // could use Mirror_elliptic // incidence angle 4 mrad // KB 1st mirror (XZ plane) at 1.6m from sample // must be shifted by -2 mm on Y else beam flies underneath the mirror. COMPONENT PX2a_vfm_location = Monitor_nD(xwidth=0.01, yheight=0.01, options="x y", bins=100) AT (0,0,33.9-32.1) RELATIVE PX2a_hpm_takeoff COMPONENT PX2a_vfm_in_xz_plane = Arm() AT (0,0,0) RELATIVE PX2a_vfm_location ROTATED(0,0,-90) RELATIVE PX2a_vfm_location // YZ -> XZ COMPONENT PX2a_vfm = Mirror_curved( coating="Rh.txt", length=450e-3, width=0.1, radius=PX2a_vfm_radius) AT (0,0,0) RELATIVE PX2a_vfm_location ROTATED(0,-PX2a_mirror_grazing_angle,0) RELATIVE PX2a_vfm_in_xz_plane EXTEND %{ PX2a_flag_vfm=SCATTERED; %} COMPONENT PX2a_vfm_takeoff = COPY(PX2a_vfm_location) AT (0,0,0) RELATIVE PX2a_vfm_in_xz_plane ROTATED (-2*PX2a_mirror_grazing_angle, 0, 0) RELATIVE PX2a_vfm_location // KB 2nd mirror (YZ) at 1m from sample, shift height=4.8 mm COMPONENT PX2a_hfm_location = COPY(PX2a_vfm_location) AT (0,0,34.5-33.9) RELATIVE PX2a_vfm_takeoff // 859 m tangential; sagital > 1 km, in YZ plane COMPONENT PX2a_hfm = Mirror_curved( coating="Rh.txt", length=450e-3, width=0.1, radius=PX2a_hfm_radius) AT (0,0,0) RELATIVE PX2a_hfm_location ROTATED (0,-PX2a_mirror_grazing_angle,0) RELATIVE PX2a_hfm_location EXTEND %{ PX2a_flag_hfm=SCATTERED; %} COMPONENT PX2a_hfm_takeoff = COPY(PX2a_vfm_location) AT (0,0,0) RELATIVE PX2a_hfm_location ROTATED (0,-2*PX2a_mirror_grazing_angle,0) RELATIVE PX2a_hfm_location // Sample ---------------------------------------------------------------------- // we centre the beam after the KB. COMPONENT PX2a_sample_stage = Arm() AT (1e-3,-1.1e-3,1) RELATIVE PX2a_hfm_takeoff EXTEND %{ if (!PX2a_flag_hfm || !PX2a_flag_vfm) ABSORB; %} COMPONENT PX2a_sample_monitor = Monitor_nD( xwidth = 0.01, yheight = 0.01, options = "x y", bins=100) AT (0, 0, 0) RELATIVE PX2a_sample_stage SPLIT splits COMPONENT PX2a_sample = Single_crystal(reflections=PX2a_sample, material_datafile="NULL", radius = .5e-4, yheight = 5e-3, p_transmit = 0, mosaic=0.1, order=1) AT (0, 0, 0) RELATIVE PX2a_sample_stage ROTATED (PX2a_rotX,PX2a_rotY,PX2a_rotZ) RELATIVE PX2a_sample_stage EXTEND %{ if (!SCATTERED) ABSORB; %} COMPONENT PX2a_psd4pi = PSD_monitor_4PI( nx = 180, ny = 180, filename = "psd4pi", radius = 0.1, restore_xray = 1) AT (0, 0, 0) RELATIVE PX2a_sample // Detector COMPONENT PX2a_Eiger9M = PSD_monitor( nx=3108, ny=3262, xwidth = 233.1e-3, yheight= 244.7e-3, filename="PX2a_Eiger9M.dat" ) AT (0,0,0.12) RELATIVE PX2a_sample_stage END