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235 lines
12 KiB
Matlab
235 lines
12 KiB
Matlab
%PREP_H5DATA prepare data and save it to disk
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% prep_h5data expects that fmask and fmag already exist, prepares them
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% for the C++ code and saves everything to disk.
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%
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% ** p p structure
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%
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% see also: core.ptycho_prepare_scans
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% Academic License Agreement
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%
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% Source Code
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%
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% Introduction
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% • This license agreement sets forth the terms and conditions under which the PAUL SCHERRER INSTITUT (PSI), CH-5232 Villigen-PSI, Switzerland (hereafter "LICENSOR")
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% will grant you (hereafter "LICENSEE") a royalty-free, non-exclusive license for academic, non-commercial purposes only (hereafter "LICENSE") to use the cSAXS
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% ptychography MATLAB package computer software program and associated documentation furnished hereunder (hereafter "PROGRAM").
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%
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% Terms and Conditions of the LICENSE
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% 1. LICENSOR grants to LICENSEE a royalty-free, non-exclusive license to use the PROGRAM for academic, non-commercial purposes, upon the terms and conditions
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% hereinafter set out and until termination of this license as set forth below.
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% 2. LICENSEE acknowledges that the PROGRAM is a research tool still in the development stage. The PROGRAM is provided without any related services, improvements
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% or warranties from LICENSOR and that the LICENSE is entered into in order to enable others to utilize the PROGRAM in their academic activities. It is the
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% LICENSEE’s responsibility to ensure its proper use and the correctness of the results.”
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% 3. THE PROGRAM IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR
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% A PARTICULAR PURPOSE AND NONINFRINGEMENT OF ANY PATENTS, COPYRIGHTS, TRADEMARKS OR OTHER RIGHTS. IN NO EVENT SHALL THE LICENSOR, THE AUTHORS OR THE COPYRIGHT
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% HOLDERS BE LIABLE FOR ANY CLAIM, DIRECT, INDIRECT OR CONSEQUENTIAL DAMAGES OR OTHER LIABILITY ARISING FROM, OUT OF OR IN CONNECTION WITH THE PROGRAM OR THE USE
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% OF THE PROGRAM OR OTHER DEALINGS IN THE PROGRAM.
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% 4. LICENSEE agrees that it will use the PROGRAM and any modifications, improvements, or derivatives of PROGRAM that LICENSEE may create (collectively,
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% "IMPROVEMENTS") solely for academic, non-commercial purposes and that any copy of PROGRAM or derivatives thereof shall be distributed only under the same
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% license as PROGRAM. The terms "academic, non-commercial", as used in this Agreement, mean academic or other scholarly research which (a) is not undertaken for
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% profit, or (b) is not intended to produce works, services, or data for commercial use, or (c) is neither conducted, nor funded, by a person or an entity engaged
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% in the commercial use, application or exploitation of works similar to the PROGRAM.
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% 5. LICENSEE agrees that it shall make the following acknowledgement in any publication resulting from the use of the PROGRAM or any translation of the code into
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% another computing language:
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% "Data processing was carried out using the cSAXS ptychography MATLAB package developed by the Science IT and the coherent X-ray scattering (CXS) groups, Paul
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% Scherrer Institut, Switzerland."
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%
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% Additionally, any publication using the package, or any translation of the code into another computing language should cite for difference map:
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% P. Thibault, M. Dierolf, A. Menzel, O. Bunk, C. David, F. Pfeiffer, High-resolution scanning X-ray diffraction microscopy, Science 321, 379–382 (2008).
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% (doi: 10.1126/science.1158573),
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% for maximum likelihood:
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% P. Thibault and M. Guizar-Sicairos, Maximum-likelihood refinement for coherent diffractive imaging, New J. Phys. 14, 063004 (2012).
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% (doi: 10.1088/1367-2630/14/6/063004),
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% for mixed coherent modes:
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% P. Thibault and A. Menzel, Reconstructing state mixtures from diffraction measurements, Nature 494, 68–71 (2013). (doi: 10.1038/nature11806),
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% and/or for multislice:
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% E. H. R. Tsai, I. Usov, A. Diaz, A. Menzel, and M. Guizar-Sicairos, X-ray ptychography with extended depth of field, Opt. Express 24, 29089–29108 (2016).
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% (doi: 10.1364/OE.24.029089).
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% 6. Except for the above-mentioned acknowledgment, LICENSEE shall not use the PROGRAM title or the names or logos of LICENSOR, nor any adaptation thereof, nor the
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% names of any of its employees or laboratories, in any advertising, promotional or sales material without prior written consent obtained from LICENSOR in each case.
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% 7. Ownership of all rights, including copyright in the PROGRAM and in any material associated therewith, shall at all times remain with LICENSOR, and LICENSEE
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% agrees to preserve same. LICENSEE agrees not to use any portion of the PROGRAM or of any IMPROVEMENTS in any machine-readable form outside the PROGRAM, nor to
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% make any copies except for its internal use, without prior written consent of LICENSOR. LICENSEE agrees to place the following copyright notice on any such copies:
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% © All rights reserved. PAUL SCHERRER INSTITUT, Switzerland, Laboratory for Macromolecules and Bioimaging, 2017.
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% 8. The LICENSE shall not be construed to confer any rights upon LICENSEE by implication or otherwise except as specifically set forth herein.
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% 9. DISCLAIMER: LICENSEE shall be aware that Phase Focus Limited of Sheffield, UK has an international portfolio of patents and pending applications which relate
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% to ptychography and that the PROGRAM may be capable of being used in circumstances which may fall within the claims of one or more of the Phase Focus patents,
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% in particular of patent with international application number PCT/GB2005/001464. The LICENSOR explicitly declares not to indemnify the users of the software
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% in case Phase Focus or any other third party will open a legal action against the LICENSEE due to the use of the program.
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% 10. This Agreement shall be governed by the material laws of Switzerland and any dispute arising out of this Agreement or use of the PROGRAM shall be brought before
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% the courts of Zürich, Switzerland.
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function prep_h5data(p)
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import utils.verbose
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import io.HDF.save2hdf5
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fmask = p.fmask;
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fmag = p.fmag;
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single_mask = true;
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for ii=1:size(fmask,3)-1
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if ~isequaln(fmask(:,:,ii),fmask(:,:,ii+1))
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single_mask = false;
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break;
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end
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end
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%%%%% Prepare object and probe for hdf5 file %%%%%
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for obnum = p.share_object_ID
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object_c(obnum) = struct('data',p.object{obnum}(:,:,1));
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end
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for prnum = p.share_probe_ID
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probe_c(prnum) = struct('data',p.probes(:,:,prnum));
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end
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%%%%% Prepare data for hdf5 file %%%%%
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bad_pixels = cell(p.numscans,1);
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bad_pixels_index = cell(p.numscans,1);
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% Assumes that detector position is the same within a scan
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for ii = 1:p.numscans % loop over scans
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% Prepare structure for detector %
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% Here I detect the module gaps, can be later given by the
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% prepare_data function
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fmaski = fmask(:,:,p.scanindexrange(ii,1)); % First mask to detect modules (gaps)
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auxmodxo = any(fmaski,1);
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if auxmodxo(1)
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indbeginmodx = 1;
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else
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indbeginmodx = [];
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end
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auxmodx = diff(auxmodxo);
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indbeginmodx = [indbeginmodx find(auxmodx==1)+1];
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nummodx = length(indbeginmodx);
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indendmodx = find(auxmodx==-1);
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if auxmodxo(end)
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indendmodx = [indendmodx p.asize(2)];
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end
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auxmodyo = any(fmaski,2);
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if auxmodyo(1)
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indbeginmody = 1;
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else
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indbeginmody = [];
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end
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auxmody = diff(auxmodyo);
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indbeginmody = [indbeginmody find(auxmody==1).'+1];
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nummody = length(indbeginmody);
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indendmody = find(auxmody==-1).';
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if auxmodyo(end)
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indendmody = [indendmody p.asize(1)];
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end
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modulearray = zeros(nummody*nummodx,4);
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fmaskdet = zeros(p.asize); % Module mask for current detector position
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counter = 0;
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for kk = 1:nummody
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for jj = 1:nummodx
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counter = counter+1;
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numrows = indendmody(kk) - indbeginmody(kk) + 1;
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numcols = indendmodx(jj) - indbeginmodx(jj) + 1;
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fmaskdet(indbeginmody(kk):indendmody(kk),indbeginmodx(jj):indendmodx(jj))=1;
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modulearray(counter,:) = [numrows,numcols,indbeginmody(kk)-1,indbeginmodx(jj)-1]; %% Minus one to go to indexing convention in C
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end
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end
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verbose(3,['Detected ' num2str(nummodx*nummody) ' modules'])
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if verbose >= 3
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disp([num2str(modulearray)])
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end
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%%% Here there is the posibility to add bad pixels that are common
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%%% to all diffraction patterns. Could be identified in prepare
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%%% data
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%detector(ii) = struct('rows', uint32(192), 'columns', uint32(192), 'modules', transpose(uint32([192,192,0,0])), 'bad_pixels', transpose(uint32([9,10; 11,12; 13,14])));
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detector(ii) = struct('rows', uint32(p.asize(1)), 'columns', uint32(p.asize(2)),...
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'modules', transpose(uint32(modulearray)),'bad_pixels',uint32([]));
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if ~single_mask
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idx = 0;
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for jj = p.scanindexrange(ii,1):p.scanindexrange(ii,2) % loop over corresponding diffraction patterns
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[y, x] = find(1+fmask(:,:,jj)-fmaskdet==0);
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bps = transpose(reshape([y, x], length(x), 2))-1;
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idx = length(bps)+idx;
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bad_pixels_index{ii} = [bad_pixels_index{ii} idx];
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bad_pixels{ii} = [bad_pixels{ii} bps];
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end
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else
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[y, x] = find(1+fmaski-fmaskdet==0);
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bad_pixels{ii} = transpose(reshape([y, x], length(x), 2))-1;
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end
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% Prepare structure for measurement %
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% for jj = p.scanindexrange(ii,1):p.scanindexrange(ii,2) % loop over corresponding diffraction patterns
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% %%%%% Prepare bad pixels %%%%%
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% [y, x] = find(1+fmaski-fmaskdet==0);
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% bad_pixels(jj) = transpose(reshape([y, x], length(x), 2))-1;
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% measurement(jj) = struct('data', fmag(:,:,jj), 'position', uint32((p.positions(jj,:))),...
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% 'object', uint32(p.share_object_ID(ii)-1), 'probe', uint32(p.share_probe_ID(ii)-1),...
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% 'detector', uint32(ii-1));
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% end
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end
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%% prepare output
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h5_struc = [];
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h5_struc.Attributes.format = 2;
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for ii=1:size(probe_c,2)
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h5_struc.probes(:,ii) = uint64(size(probe_c(ii).data));
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end
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for ii=1:size(object_c,2)
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h5_struc.objects(:,ii) = uint64(size(object_c(ii).data));
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end
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%% detectors
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h5_struc.detector = [];
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for ii=1:p.numscans
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temp = detector(ii);
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h5_struc.detector.(['n' num2str(ii-1)]).Attributes.rows = temp.rows;
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h5_struc.detector.(['n' num2str(ii-1)]).Attributes.columns = temp.columns;
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if single_mask && ~isempty(bad_pixels{ii})
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h5_struc.detector.(['n' num2str(ii-1)]).bad_pixels = bad_pixels{ii};
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end
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h5_struc.detector.(['n' num2str(ii-1)]).modules = temp.modules;
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end
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%% measurements
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h5_struc.measurement = [];
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h5_struc.measurement.Attributes.max_power = 1/p.renorm^2;
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for ii=1:p.numscans
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% attributes
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h5_struc.measurement.(['n' num2str(ii-1)]).Attributes.detector = uint32(ii-1);
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h5_struc.measurement.(['n' num2str(ii-1)]).Attributes.probe = uint32(p.share_probe_ID(ii)-1);
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h5_struc.measurement.(['n' num2str(ii-1)]).Attributes.object = uint32(p.share_object_ID(ii)-1);
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h5_struc.measurement.(['n' num2str(ii-1)]).Attributes.max_sum = uint32(p.max_sum(ii));
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% datasets
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h5_struc.measurement.(['n' num2str(ii-1)]).positions = uint32(transpose(round(p.positions(p.scanidxs{ii},:))));
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h5_struc.measurement.(['n' num2str(ii-1)]).data = permute((fmag(:,:,p.scanidxs{ii})/p.renorm).^2, [2 1 3]);
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if ~single_mask
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h5_struc.measurement.(['n' num2str(ii-1)]).bad_pixels = bad_pixels{ii};
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h5_struc.measurement.(['n' num2str(ii-1)]).bad_pixels_index.Value = uint64(transpose(bad_pixels_index{ii}));
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h5_struc.measurement.(['n' num2str(ii-1)]).bad_pixels_index.Attributes.save2hdf5DataShape = size(uint64(transpose(bad_pixels_index{ii})),1);
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end
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end
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%% save to disk
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if ~exist(p.prepare_data_path, 'dir')
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mkdir(p.prepare_data_path)
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end
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verbose(2,'Writing H5 data file: %s',[p.prepare_data_path p.prepare_data_filename]);
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save2hdf5([p.prepare_data_path p.prepare_data_filename], h5_struc, 'overwrite', true, 'comp', p.io.data_compression);
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end
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