Files
nappMATLAB-toolbox/beamtime/nappFileList.m
T
bartels-rausch 091cf00e77 Refactor energy calibration pipeline, introduce modern arguments blocks, and add universal logging
* Transitioned nappNorm, nappDetermineShift, and nappCopyShift to use modern MATLAB arguments blocks, removing their legacy functionSignatures.json entries.

* Refactored nappNorm to rely on prior peak fitting results (e.g., from nappFitGaussXps) for normalization rather than performing the fitting internally.

* Decoupled energy calibration: nappDetermineShift now solely calculates internal binding energy shifts, and nappCopyShift distributes them using a unified matching engine ('earlier', 'after', 'spectrumNumber').

* Implemented a Universal Logging Block to track data provenance, automatically appending execution timestamps and caller script names to processed rows.

* Updated nappCombineSpectra to output a logDataSource cell array and cleanly name combined spectra.

* Created nappSaveDataTable for automatic, script-named .mat file saving, complete with a Live Editor interceptor.

* Added a publish-mode silencer to nappFitGaussXps to prevent optimizer spam in generated PDFs.

* Updated readme.md to document the new arguments structure, the 3-step calibration workflow, the matching engine, and the new table variables.
2026-03-25 12:07:49 +01:00

1951 lines
87 KiB
Matlab
Executable File

function ListFiles = nappFileList(dataPath,varargin)
%NAPPFILELIST Import spectroscopy data (XPS, NEXAFS) from a beam time folder into data table.
% Photos, analyser and sample settings such as pass energy, lens mode, temperature,
% position, and pressure are automatically extracted and added to the table.
%
% SYNTAX
% ------
% ListFiles = NAPPFILELIST(dataPath)
% ListFiles = NAPPFILELIST(dataPath, DataTable)
% ListFiles = NAPPFILELIST(dataPath, DataTable, 'Name', Value)
%
% DESCRIPTION
% -----------
% NAPPFILELIST scans a beam time folder and imports all experimental data
% files (XPS, NEXAFS, and photos) with their associated
% metadata into a MATLAB table. The function automatically:
% - Reads XPS data and metadata from SES (.ibw) or Specs (.xy) files
% - Reads NEXAFS data and metadata from HDF5 (.h5) files
% - Splits multi-scan HDF5 files into individual single-scan files
% - Extracts instrument settings (pass energy, dwell time, lens mode, etc.)
% - Normalizes count rates (per dwell time) to counts per second (cps)
% - Averages region iterations during import
% - Creates a semicolon-separated CSV file for Excel import
%
% REQUIRED INPUT ARGUMENTS
% ------------------------
% dataPath
% Beam time folder path (string or char vector).
% Format: 'YYYY/BeamtimeName'(Mac,Linux,Unix) or 'YYYY\BeamtimeName' (Windows)
% Examples: '2025/November_NappIss', '2024/March_PolLux'
%
% Note: The folder structure must follow the strict naming convention
% described in the "Folder Structure" section below.
%
% OPTIONAL POSITIONAL INPUT
% -------------------------
% DataTable
% Existing data table to append imported data to (table object).
% If provided, new files are merged with existing table.
% If not provided, a new table is created from scratch.
%
% NAME-VALUE PAIR ARGUMENTS
% -------------------------
% 'mode'
% Import mode (char or string, default: 'local').
% Supported values:
% 'local' - Import from local computer (default)
% 'nappDrive' - Import from mounted NAPP network drive
% 'dataDrive' - Import from mounted group drive (5505)
% 'localNew' - Import only new files not in existing DataTable
% 'nappDrivePick' - Browse and select files from NAPP drive
% 'localPick' - Browse and select files from local folder
% 'dataPick' - Browse and select files from mounted group drive
%
% 'importLabView'
% Import LabView pressure/temperature logs (char or string).
% Default: 'on'
% Supported values:
% 'on' - Import LabView logs from Pressure subfolder
% 'off' - Skip LabView log import (this is much,much faster)
%
% OUTPUT ARGUMENTS
% ----------------
% ListFiles
% MATLAB table with the following columns (variables):
% - name: file name (string)
% - folder: full path to file (string)
% - date: file modification date (datetime)
% - bytes: file size in bytes (numeric)
% - isdir: directory flag (logical)
% - datenum: date as serial number (numeric)
% - creationDate: acquisition timestamp (datevec format)
% - image: 2D spectral map or image (cell array)
% - imageRoh: raw 2D spectral map (cell array)
% - spectrum_counts: integrated spectrum (numeric or cell array)
% - spectrum_countsPerSecond: mean spectrum normalized to cps
% - scientaEkin_eV: kinetic energy axis (cell array, eV)
% - scientaEkinRange_eV: [min max] kinetic energy range
% - scientaPassEnergy_eV: analyzer pass energy (numeric, eV)
% - scientaDwellTime_ms: dwell time per channel (numeric, ms)
% - regionName: region label (e.g., 'C1s', 'O K-edge NEXAFS')
% - scientaAcquisitionMode: 'Swept' or 'Fixed' mode
% - scientaLensMode: lens transmission mode (string)
% - scientaRegionIterations: number of region scans (numeric)
% - scientaSequenceIterations: number of sequence repeats (numeric)
% - xRayEkin_eV: X-ray photon energy for XPS (numeric or cell array, eV)
% - xRayEkinRange_eV: [min max] photon energy range
% - beamlineInt: beamline intensity (I_0 for NEXAFS)
% - importDate: timestamp of table generation (char)
% - analysisDir: working directory at import time (string)
%
% Also creates: YYYYMmm_DataList.csv
% Semicolon-separated ASCII file in beam time folder for Excel import.
%
% FOLDER STRUCTURE & NAMING CONVENTIONS
% =====================================
%
% REQUIRED DIRECTORY STRUCTURE
% ----------------------------
% The beam time folder must contain the following sub-directories:
%
% SES/ - XPS data in Igor (.ibw) or Specs (.xy) format
% NEXAFS/ - NEXAFS maps in HDF5 (.h5) format
% Photos/ - Sample photographs in BMP (.bmp) format
% Pressure/ - LabView pressure and temperature logs
% PShell/ - XPS data in h5 format (from PShell)
%
% Full path convention:
% LOCAL: ~/Forschung_Einsam/PSI_SLS/NAPP/SC Data/YYYY/BeamtimeName
% NAPP DRIVE: /Volumes/NAPP/SC Data/YYYY/BeamtimeName (Mac)
% \\fs03\NAPP\SC Data\YYYY\BeamtimeName (Windows)
% DATA DRIVE: /Volumes/5505/Data/YYYY/BeamtimeName (Mac)
% \\fs101\5505\Data\YYYY\BeamtimeName (Windows)
%
% EXAMPLE FOLDER LAYOUT
% ---------------------
% 2025/November_NappIss/
%  SES/ [XPS data]
%   0001_C1s_525eV.ibw
%   0002_O1s_850eV.ibw
%   0003_Survey_850eV.ibw
%   ...
%  NEXAFS/ [NEXAFS maps]
%   0010_O_Kedge.h5
%   0011_N_Kedge.h5
%   ...
%  Photos/ [Sample photos]
%   A0001-20251123_102407.bmp
%   A0002-20251123_102408.bmp
%   ...
%  Pressure/ [Environmental logs]
%  LabView_T_RH_20251119.txt
%  logfile-23-11-2025-12h46min.txt
%
% FILE NAMING CONVENTIONS
% -----------------------
%
% XPS FILES (.ibw, .xy)
% Format: NNNN_RegionName_PhotonEnergy.ext
% Example: 0191_C1s_525eV.ibw
% 0192_O1s_850eV.ibw
% 0045_Survey_1000eV.ibw
%
% NNNN = Four-digit SES file number (from instrument)
% RegionName = XPS region: C1s, O1s, N1s, Si2p, Cl2p, Survey, etc.
% PhotonEnergy = X-ray photon energy in eV
% .ibw = Igor file format (Scienta SES analyzer)
% .xy = Specs SpecsLab file format
%
% NEXAFS FILES (.h5)
% Format: NNNN_ElementName_EdgeType.h5
% Example: 0200_O_Kedge.h5
% 0201_N_Kedge.h5
% 0202_C_Kedge.h5
%
% NNNN = Four-digit file number
% ElementName = Element symbol: O, N, C, etc.
% EdgeType = K-edge, L-edge, etc.
%
% Note: Files starting with "N" are recognized. Files starting with
% other characters (e.g., from old naming schemes) will be ignored.
%
% PHOTO FILES (.bmp)
% Format: descriptive_name.bmp
% Example: sample_overview.bmp
% before_dosing.bmp
% after_annealing.bmp
%
% DATA FILE REQUIREMENTS & LIMITATIONS
% ====================================
%
% - At least ONE .ibw or .xy file must exist in SES/ subfolder
% - Do NOT run while SES or NEXAFS data are being actively recorded
% - Multi-scan HDF5 files are automatically split (one scan per file)
% - Region iterations are averaged during import (not preserved individually)
% - Counts are normalized to 1 second dwell time (results in cps)
% - System files starting with '.' or '~' are automatically excluded
%
% HDF5 MULTI-SCAN HANDLING
% -------------------------
% If an HDF5 file contains multiple scans (>3 groups detected):
% 1. Function calls splitH5Scans(filename)
% 2. Each scan is extracted into a separate file
% 3. New files: original_name_scan_1.h5, original_name_scan_2.h5, etc.
% 4. Original multi-scan file is deleted after splitting
%
% EXAMPLES
% ========
%
% % Example 1: Import all data from local folder
% FileList = nappFileList('2025/November_NappIss', 'mode', 'local');
%
% % Example 2: Add new data to existing table
% FileList = nappFileList('2025/November_NappIss', FileList, 'mode', 'local');
%
% % Example 3: Import only new files not yet in table
% FileList = nappFileList('2025/November_NappIss', FileList, ...
% 'mode', 'localNew');
%
% % Example 4: Import from network drive with file browser
% FileList = nappFileList('2025/November_NappIss', ...
% 'mode', 'nappDrivePick');
%
% % Example 5: Skip LabView pressure/temperature logs
% FileList = nappFileList('2025/November_NappIss', ...
% 'mode', 'local', 'importLabView', 'off');
%
% DEPENDENCIES
% ============
% - IBWread function (Igor Pro format reader for MATLAB)
% https://ch.mathworks.com/matlabcentral/fileexchange/42679-igor-pro-file-format-ibw-to-matlab-variable
% - h5info, h5read (HDF5 file support, built-in MATLAB)
% - splitH5Scans function (custom, included in toolkit)
% - LabView_importData function (custom, included in toolkit)
%
% TROUBLESHOOTING
% =======================
%
% - If "path wrong" warning appears: check folder spelling and that
% network drives are mounted
% - If Igor files fail to read: verify files are complete and not corrupted
% (partially recorded files should be renamed with "ignore_" prefix)
% - For older data (pre-2020): HDF5 file structure may differ; function
% attempts multiple path conventions automatically
% - Mac: Creation date for NEXAFS files obtained via 'stat' command
% - Windows: Creation date for NEXAFS files set to NaN
%
% MATLAB VERSION REQUIREMENTS
% ===========================
% - MATLAB 2018a or higher (for '**' notation in dir patterns)
%
% HISTORY & UPDATES
% =================
% - January 2020: Added new h5 file structure and naming convention
% - March 2021: Added local file structure support (not just network)
% - March 2021: Added Lens Mode column support
% - April 2021: X-ray kinetic energy and images now made unique
% - March 2022: Refactored to use varargin instead of positional arguments
% - March 2022: Strict data structure required for local and remote sources
% - November 2025: Added support for PShell h5 file structure (NEXAFS)
% - November 2025: Added creation date extraction for Mac (NEXAFS)
%
% See also: TABLE, IBWread, h5read, h5info, DIR, inputParser
%
% Copyright: Laboratory of Atmospheric Chemistry, Paul Scherrer Institut (PSI)
% thorsten.bartels-rausch@psi.ch
%
% =========================================================================
%% Updated
%
% * January 2020, added new h5 file structure and naming convention.
% * March 2021, added possibility to work on local file structure
% * March 2021, added Lens Mode as column (have not tested this for older
% NEXAFS files).
% * April 2021, X-ray kinetic energy and images are now made unique
% * March 2022, input now using varargin
% * March 2022, strict data structure required for local and remote sources
% * November 2025, PShell h5 files for NEXAFS have a new structure;
% * November 2025, added creation date to mac for NEXAFS.
% * March 2026, added movie import from photos folder, added jpg as photo
% file
%% Input
% Define conditions and defaults of input
defaultMode = 'local';
expectedMode = {'local','nappDrive','dataDrive','localNew','nappDrivePick','localPick','dataPick'};
defaultImportLabView = 'on';
expectedImportLabView = {'on','off'};
% Parse input
p = inputParser;
addRequired(p,'dataPath');
addOptional(p,'DataTable',@istable);
addParameter(p,'mode',defaultMode,...
@(x) any(validatestring(x,expectedMode)));
addParameter(p,'importLabView',defaultImportLabView,...
@(x) any(validatestring(x,expectedImportLabView)));
parse(p,dataPath,varargin{:});
%% Data Paths
%
% Mac and Windows use different notations to address network drives. For
% windows, we use the UNC naming convention. This is a more recent way to
% address mounted drives that does not rely on the use of drive letters.
% The letters might be different for the same drive on different computer.
if contains(p.Results.mode,'local')
% Data server address
if ismac
server = '/Users/bartels-rausch/Documents/Forschung_Einsam/PSI_SLS/';
elseif ispc
server = userpath;
end
elseif contains(p.Results.mode,'nappDrive')
% Data server address
if ismac
server = '/Volumes/';
elseif ispc
server = '\\fs03\';
end
elseif contains(p.Results.mode,'data')
% Data server address
if ismac
server = '/Volumes/';
elseif ispc
server = '\\fs101\';
end
end
if contains(p.Results.mode,'data')
dataPath = fullfile(server,'5505','Data','beamtimes',dataPath);
else
dataPath = fullfile(server,'NAPP','SC Data',dataPath);
end
% Data Paths to subdirectories for specific files:
dataPath_XPS = fullfile(dataPath, 'SES');
dataPath_Photo = fullfile(dataPath, 'Photos');
dataPath_NEXAFS = fullfile(dataPath, 'NEXAFS');
dataPath_LabView = fullfile(dataPath, 'Pressure');
%
if ~isfolder(dataPath_XPS)
warning('There is something wrong with the path. Check for typo and that the drives are mounted')
disp('There is something wrong with the path. Check for typo and that the drives are mounted')
disp('I quit now')
return
end
%% Naming Convention
%
% See: MATLAB Programming Style Guidelines, by Richard Johnson
%
% * Variable: mixed case words starting with lower case: credibleThreat, qualityOfLife
% * Variables with a large scope should have meaningful names. Variables
% with a small scope can have short names.
% * A convention on pluralization should be followed consistently.
% * Structure names should begin with a capital letter: SegmentData.length
% * The prefix n should be used for variables representing the number of
% objects. A MATLAB-specific addition is the use of m for number of rows
% (based on matrix notation). nFiles, mRows
% * Iterator variables should be named or prefixed with i. for iPosition =
% 1:nPositions, ii, ij, ik....
% * Functions should have meaningful names written in lower case.
% computetotalwidth(), Avoid compwid();
%% Query beam time folder content
%
% We use MATLAB's 'dir' command which writes the content of a folder into a
% structure with the following fields:
%
% * name
% * folder
% * date
% * bytes
% * isdir
% * datenum
%
% XPS data: Create a structure 'TmpFileList{1}' with all Igor files in the
% directory and its subfolders (1st level). The '\N*' at the beginning is
% important. Otherwise hidden files starting with a . will also be listed.
% Obviously, Igor file names from SES software and h5 file names from Epics
% (NEXAFS) need to start with an N, otherwise change the search term below:
%
% THE ** notation needs a recent version of Matlab, 2014 does not work.
if endsWith(p.Results.mode, 'Pick')
% --- PICK MODE ---
[filePick, pathPick] = uigetfile({'*.ibw;*.xy;*.h5'}, ...
'Select One or More Files', dataPath, 'MultiSelect', 'on');
if ischar(filePick), filePick = {filePick}; end % Force cell array
% Initialize empty dir structs
TmpFileList{1} = struct('name',{},'folder',{},'date',{},'bytes',{},'isdir',{},'datenum',{});
TmpFileList{2} = TmpFileList{1};
TmpFileList{3} = TmpFileList{1}; % Photos always empty in pick mode
% Populate XPS and NEXAFS
if ~isequal(filePick, 0) % If user didn't cancel
for ii = 1:length(filePick)
if endsWith(filePick{ii}, {'.ibw', '.xy'}, 'IgnoreCase', true)
TmpFileList{1} = [TmpFileList{1}; dir(fullfile(pathPick, filePick{ii}))];
elseif endsWith(filePick{ii}, '.h5', 'IgnoreCase', true)
TmpFileList{2} = [TmpFileList{2}; dir(fullfile(pathPick, filePick{ii}))];
end
end
end
else
% --- FOLDER SEARCH MODE ---
% 1. XPS (Both .ibw and .xy)
tmpIbw = dir(fullfile(dataPath_XPS, '**', '*.ibw'));
tmpIbw = tmpIbw(find(~cellfun(@isempty,regexp({tmpIbw .name},'^[a-zA-Z0-9]\w*')))); %#ok<FNDSB>
tmpXy = dir(fullfile(dataPath_XPS, '**', '*.xy'));
tmpXy = tmpXy(find(~cellfun(@isempty,regexp({tmpXy .name},'^[a-zA-Z0-9]\w*')))); %#ok<FNDSB>
TmpFileList{1} = [tmpIbw; tmpXy]; % Stack them together
% 2. NEXAFS
TmpFileList{2} = dir(fullfile(dataPath_NEXAFS, '**', '*.h5'));
TmpFileList{2} = TmpFileList{2}(find(~cellfun(@isempty,regexp({TmpFileList{2}.name},'^[a-zA-Z0-9]\w*')))); %#ok<FNDSB>
% 3. Photos
photoExts = {'*.bmp', '*.jpg', '*.JPG', '*.mov', '*.avi', '*.mp4', '*.wmv'};
TmpFileList{3} = [];
for i = 1:length(photoExts)
TmpFileList{3} = [TmpFileList{3}; dir(fullfile(dataPath_Photo, '**', photoExts{i}))];
end
TmpFileList{3} = TmpFileList{3}(find(~cellfun(@isempty,regexp({TmpFileList{3}.name},'^[a-zA-Z0-9]\w*')))); %#ok<FNDSB>
% Clean up system/hidden files for all lists
for i = 1:3
if ~isempty(TmpFileList{i})
% Keep only files that do NOT start with '.' or '~'
validIdx = ~startsWith({TmpFileList{i}.name}, {'.', '~'});
TmpFileList{i} = TmpFileList{i}(validIdx);
end
end
% =========================================================================
% SPLIT HDF5 FILES WITH MULTIPLE DATASETS INTO INDIVIDUAL FILES
% =========================================================================
%
% BACKGROUND:
% HDF5 files from the beamline can contain multiple experimental scans
% (e.g., scan_1, scan_2, scan_3) stored as separate groups within a
% single file. However, the NEXAFS and XPS data processing pipelines
% are designed to work with one scan per file.
%
% PURPOSE:
% This script identifies HDF5 files that contain multiple scans and
% splits each scan into a separate file with a descriptive name.
% Each output file contains only one scan (renamed to scan_1) plus
% the logs and metadata groups.
%
% PROCESS:
% 1. Loop through all NEXAFS HDF5 files in the file list
% 2. Check if each file contains more than 3 groups (indicating multiple scans)
% 3. If it does, split it using the splitH5Scans function
% 4. The original file is deleted after splitting
%
% OUTPUT:
% For each multi-scan file, creates separate output files:
% Example: 0002_..._O_Kedge.h5  0002_..._O_Kedge_scan_1.h5
% 0002_..._O_Kedge_scan_2.h5
% =========================================================================
% Loop through each file in the NEXAFS file list
% TmpFileList{2} contains the full paths to all NEXAFS HDF5 files
% ii is the loop counter (1, 2, 3, ... up to the total number of files)
% Initialize a map to hold the original dates for split files
splitFileDatesMap = containers.Map('KeyType', 'char', 'ValueType', 'any');
for ii = 1:size(TmpFileList{2}, 1)
% Get the filename of the current file being processed
current_file = [TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name];
% Read information about the structure of the HDF5 file
% This tells us what groups (datasets) are stored in the file
fileinfo = h5info(current_file);
% Extract the names of all groups at the root level
% Example: {'/scan_1', '/scan_2', '/logs', '/__DATA_TYPES__'}
groupnames = {fileinfo.Groups.Name};
% Check if this file has more than 3 groups
% Files with more than 3 groups likely contain multiple scans
% (the extra groups beyond scans are typically '/logs' and '/__DATA_TYPES__')
if numel(groupnames) > 3
% 1. Get the true historical dates BEFORE splitting
[orig_cDateOS, orig_mDateOS] = getOSDates(current_file);
% 2. Split the file and get the names of the newly created files
% This file contains multiple scans, so split it
% The splitH5Scans function will:
% - Create separate files for each scan
% - Rename each scan to '/scan_1' within its new file
% - Delete the original multi-scan file when done
newlyCreatedFiles = splitH5Scans(current_file);
% 3. Store the historical dates in the map using the new filenames as keys
for k = 1:length(newlyCreatedFiles)
splitFileDatesMap(newlyCreatedFiles{k}) = {orig_cDateOS, orig_mDateOS};
end
end
end
% =========================================================================
% NOTE: After this loop completes, all NEXAFS files in data folder
% will contain exactly one scan per file, ready for processing
% =========================================================================
% EPICS files in h5 format list all files, then get rid of system files
TmpFileList{2} = dir([dataPath_NEXAFS filesep '**' filesep '*.h5']);
TmpFileList{2} = TmpFileList{2}(find(~cellfun(@isempty,regexp({TmpFileList{2}.name},'^[a-zA-Z0-9]\w*')))); %#ok<FNDSB>
disp('*************************************************')
disp('* Voila: Splitting NEXAFS files done *')
disp('*************************************************')
% --- Date of First File Check ---
% Since TmpFileList{1} now safely contains all .ibw and .xy files,
% we don't need to run dir() again! We just check the struct directly.
if isempty(TmpFileList{1})
warning('There appears to be no XPS file (.ibw or .xy) in the folder. Add at least one file first.');
return;
end
try
filedate_first = TmpFileList{1}(1).datenum;
catch
warning('There appears to be something wrong with the XPS file metadata.');
end
end
%% Import XPS data to get SES settings
%
% Uses the IgorPro importer for Matlab:
% https://ch.mathworks.com/matlabcentral/fileexchange/42679-igor-pro-file-format-ibw-to-matlab-variable
%
% Normally, Matlab stops when an error occurs. I use 'try' to force Matlab
% to continue even if an error occurs. Matlab will instead print a warning,
% as defined after the 'catch'. Error might occur when single data files
% can't be read. If a warning comes up, check the corresponding data file
% and try to resolve it. I suggest to rename these original data files that
% are damaged, or not complete (because measurement was aborted) to
% "ignore_filename".
%% 2. Import XPS data
ProcessedXPS = []; % This will hold our final list of structs
if ~isempty(TmpFileList{1})
for ii = 1:length(TmpFileList{1})
current_file_info = TmpFileList{1}(ii);
current_path = fullfile(current_file_info.folder, current_file_info.name);
% =================================================================
% 1. INITIALIZE MASTER TEMPLATE (Strict Definition)
% =================================================================
% Every variable MUST be declared here so the struct sizes match perfectly
current_file_info.creationDate = [NaN NaN NaN NaN NaN NaN];
current_file_info.lastModifiedDatenum = current_file_info.datenum;
current_file_info.lastModifiedDatestr = current_file_info.date;
current_file_info.image = {[]};
current_file_info.imageRoh = {[]};
current_file_info.xRayEkin_eV = NaN;
current_file_info.xRayEkinRange_eV = [NaN NaN];
current_file_info.scientaPassEnergy_eV = NaN;
current_file_info.scientaDwellTime_ms = NaN;
current_file_info.regionName = '';
current_file_info.scientaAcquisitionMode = '';
current_file_info.scientaEkinRange_eV = [NaN NaN];
current_file_info.scientaEkinStep_eV = NaN;
current_file_info.scientaEkin_eV = {[]};
current_file_info.scientaEkinRoh_eV = {[]};
current_file_info.beamlineInt = {[]};
current_file_info.scientaLensMode = '';
current_file_info.scientaAnalyzerSlit = '';
current_file_info.scientaWorkfunction_eV = NaN;
current_file_info.scientaRegionIterations = NaN;
current_file_info.scientaSequenceIterations = NaN;
current_file_info.importDate = datestr(now);
try
current_file_info.analysisDir = file.mFile;
catch
current_file_info.analysisDir = pwd;
end
current_file_info.sample = '';
% =================================================================
% --- Case A: Scienta (.ibw) Files ---
% =================================================================
if endsWith(current_file_info.name, '.ibw', 'IgnoreCase', true)
try
PE = IBWread(current_path);
fclose('all');
tmp = regexp(PE.WaveNotes, '\r', 'split');
try
dateStr = [char(regexp(tmp{29},'((?<=Date=).*)','match')) ' ' char(regexp(tmp{30},'((?<=Time=).*)','match'))];
parsedDate = datevec(dateStr);
if size(parsedDate, 2) == 6
current_file_info.creationDate = parsedDate;
end
catch
end
current_file_info.scientaPassEnergy_eV = str2double(char(regexp(tmp{5},'((?<=Pass Energy=).*)','match')));
current_file_info.scientaDwellTime_ms = str2double(char(regexp(tmp{15},'((?<=Step Time=).*)','match')));
current_file_info.scientaEkinStep_eV = str2double(char(regexp(tmp{14},'((?<=Energy Step=).*)','match')));
current_file_info.regionName = char(regexp(tmp{3},'((?<=Region Name=).*)','match'));
current_file_info.scientaAcquisitionMode = char(regexp(tmp{9},'((?<=Acquisition Mode=).*)','match'));
current_file_info.scientaLensMode = char(regexp(tmp{4},'((?<=Lens Mode=).*)','match'));
PE.x = PE.x0(1) + (0:size(PE.y,1)-1)*PE.dx(1);
current_file_info.scientaEkin_eV = {PE.x};
current_file_info.scientaEkinRange_eV = [PE.x(1) PE.x(end)];
if PE.Ndim == 3
current_file_info.scientaRegionIterations = size(PE.y,2);
current_file_info.scientaSequenceIterations = size(PE.y,3);
PE.y = squeeze(mean(PE.y,2));
else
current_file_info.scientaRegionIterations = 1;
current_file_info.scientaSequenceIterations = size(PE.y,2);
end
PE.y = PE.y .* 1000 ./ current_file_info.scientaDwellTime_ms;
current_file_info.image = {PE.y};
current_file_info.imageRoh = {PE.y};
if isempty(ProcessedXPS), ProcessedXPS = current_file_info; else, ProcessedXPS = [ProcessedXPS; current_file_info]; end %#ok<AGROW>
catch ME
fprintf('Warning: Failed to parse %s (%s)\n', current_file_info.name, ME.message);
if isempty(ProcessedXPS), ProcessedXPS = current_file_info; else, ProcessedXPS = [ProcessedXPS; current_file_info]; end %#ok<AGROW>
end
% =================================================================
% --- Case B: Specs (.xy) Files ---
% =================================================================
elseif endsWith(current_file_info.name, '.xy', 'IgnoreCase', true)
try
[cDateOS, mDateOS] = getOSDates(current_path);
try, osDateVec = datevec(datetime(cDateOS, 'InputFormat', 'dd-MMM-yyyy HH:mm:ss'));
catch, try osDateVec = datevec(mDateOS); catch, osDateVec = [NaN NaN NaN NaN NaN NaN]; end, end
if isempty(osDateVec) || size(osDateVec, 1) == 0, osDateVec = [NaN NaN NaN NaN NaN NaN]; end
fileLines = readlines(current_path);
regionStarts = find(startsWith(fileLines, '# Region:'));
% --- 1. PARSE GLOBAL HEADER (Before First Region) ---
% SpecsLab moved many parameters to the top of the file in newer versions
globalScanMode = '';
globalLensMode = '';
globalAnalyzerSlit = '';
globalWorkFunction = NaN;
globalExEnergy = NaN;
globalSample = '';
if ~isempty(regionStarts)
globalHeader = fileLines(1:regionStarts(1)-1);
for L = 1:length(globalHeader)
lineStr = strtrim(globalHeader(L));
lineStr = regexprep(lineStr, '^#\s+', '# '); % Normalize spaces after #
if startsWith(lineStr, '# Scan Mode:')
globalScanMode = strtrim(extractAfter(lineStr, '# Scan Mode:'));
elseif startsWith(lineStr, '# Analyzer Lens Voltage:')
globalLensMode = strtrim(extractAfter(lineStr, '# Analyzer Lens Voltage:'));
elseif startsWith(lineStr, '# Analyzer Lens:')
globalLensMode = strtrim(extractAfter(lineStr, '# Analyzer Lens:'));
elseif startsWith(lineStr, '# Analyzer Slit:')
globalAnalyzerSlit = strtrim(extractAfter(lineStr, '# Analyzer Slit:'));
elseif startsWith(lineStr, '# Work Function:')
globalWorkFunction = sscanf(strtrim(extractAfter(lineStr, '# Work Function:')), '%f');
elseif startsWith(lineStr, '# Eff. Workfunction:')
globalWorkFunction = sscanf(strtrim(extractAfter(lineStr, '# Eff. Workfunction:')), '%f');
elseif startsWith(lineStr, '# Excitation Energy:')
globalExEnergy = sscanf(strtrim(extractAfter(lineStr, '# Excitation Energy:')), '%f');
elseif startsWith(lineStr, '# Comment:')
globalSample = strtrim(extractAfter(lineStr, '# Comment:'));
% =========================================================================
% OFFLINE XPS BUG FIX (Mg vs Al Source)
% If the file lacks "Monochromator" in the header and the energy is
% incorrectly tagged as ~1453.6 or 1486.6, overwrite it to 1253.6 (Mg Ka).
% =========================================================================
if ~any(contains(string(fileLines), 'Monochromator', 'IgnoreCase', true))
% Checking both 1453.6 (as requested) and 1486.61 (as seen in your file)
if (abs(globalExEnergy - 1453.61) < 1) || (abs(globalExEnergy - 1486.61) < 1)
globalExEnergy = 1253.6;
end
end
% =========================================================================
end
end
end
for r = 1:length(regionStarts)
regionEntry = current_file_info;
startIdx = regionStarts(r);
if r < length(regionStarts), endIdx = regionStarts(r+1)-1; else, endIdx = length(fileLines); end
regionBlock = fileLines(startIdx:endIdx);
% =====================================================
% 2. Extract Metadata
% =====================================================
% Initialize defaults
rName = 'UnknownRegion';
exEnergyStr = num2str(globalExEnergy);
specID = r;
regionEntry.xRayEkin_eV = globalExEnergy;
regionEntry.scientaPassEnergy_eV = NaN;
regionEntry.scientaDwellTime_ms = NaN;
% Inherit defaults from Global Header
regionEntry.scientaAcquisitionMode = globalScanMode;
regionEntry.scientaLensMode = globalLensMode;
regionEntry.scientaAnalyzerSlit = globalAnalyzerSlit;
regionEntry.scientaWorkfunction_eV = globalWorkFunction;
regionEntry.creationDate = osDateVec;
if ~isempty(globalSample)
regionEntry.sample = globalSample;
end
% Scan the header lines directly
for L = 1:min(150, length(regionBlock)) % Metadata is always at the top
lineStr = strtrim(regionBlock(L));
if isempty(lineStr) || ~startsWith(lineStr, '#'), continue; end
lineStr = regexprep(lineStr, '^#\s+', '# '); % Normalize spaces after #
if startsWith(lineStr, '# Region:')
rName = strtrim(extractAfter(lineStr, '# Region:'));
elseif startsWith(lineStr, '# Excitation Energy:')
regionEntry.xRayEkin_eV = sscanf(strtrim(extractAfter(lineStr, '# Excitation Energy:')), '%f');
% =========================================================================
% OFFLINE XPS BUG FIX (Mg vs Al Source) - REGION OVERRIDE
% =========================================================================
if ~any(contains(string(fileLines), 'Monochromator', 'IgnoreCase', true))
if (abs(regionEntry.xRayEkin_eV - 1453.6) < 1) || (abs(regionEntry.xRayEkin_eV - 1486.61) < 1)
regionEntry.xRayEkin_eV = 1253.6;
end
end
% =========================================================================
exEnergyStr = num2str(regionEntry.xRayEkin_eV);
elseif startsWith(lineStr, '# Spectrum ID:')
specID = sscanf(strtrim(extractAfter(lineStr, '# Spectrum ID:')), '%f');
elseif startsWith(lineStr, '# Acquisition Date:')
rawDateStr = strtrim(extractAfter(lineStr, '# Acquisition Date:'));
dateStr = strtrim(regexprep(rawDateStr, 'UTC$', ''));
try
dtUTC = datetime(dateStr, 'InputFormat', 'MM/dd/yy HH:mm:ss', 'PivotYear', 2000, 'TimeZone', 'UTC');
dtLocal = datetime(dtUTC, 'TimeZone', 'Europe/Zurich');
% ONLY set the Start Time (creationDate). Leave lastModified as OS default!
regionEntry.creationDate = datevec(dtLocal);
catch
% If parsing fails, it safely falls back to the OS creation date
end
elseif startsWith(lineStr, '# Pass Energy:')
regionEntry.scientaPassEnergy_eV = str2double(extractAfter(lineStr, '# Pass Energy:'));
elseif startsWith(lineStr, '# Dwell Time:')
regionEntry.scientaDwellTime_ms = str2double(extractAfter(lineStr, '# Dwell Time:')) * 1000;
elseif startsWith(lineStr, '# Scan Mode:')
regionEntry.scientaAcquisitionMode = strtrim(extractAfter(lineStr, '# Scan Mode:'));
elseif startsWith(lineStr, '# Analyzer Lens Voltage:')
regionEntry.scientaLensMode = strtrim(extractAfter(lineStr, '# Analyzer Lens Voltage:'));
elseif startsWith(lineStr, '# Analyzer Lens:')
regionEntry.scientaLensMode = strtrim(extractAfter(lineStr, '# Analyzer Lens:'));
elseif startsWith(lineStr, '# Analyzer Slit:')
regionEntry.scientaAnalyzerSlit = strtrim(extractAfter(lineStr, '# Analyzer Slit:'));
elseif startsWith(lineStr, '# Work Function:')
regionEntry.scientaWorkfunction_eV = sscanf(strtrim(extractAfter(lineStr, '# Work Function:')), '%f');
elseif startsWith(lineStr, '# Eff. Workfunction:')
regionEntry.scientaWorkfunction_eV = sscanf(strtrim(extractAfter(lineStr, '# Eff. Workfunction:')), '%f');
elseif startsWith(lineStr, '# Comment:')
regionEntry.sample = strtrim(extractAfter(lineStr, '# Comment:'));
end
end
% --- Format Name & Region ---
regionEntry.regionName = rName;
cleanRName = strrep(rName, ' ', '_');
% Write the original OS file name
regionEntry.originalFileName = current_file_info.name;
% Prevent identical filenames by appending _Reg1, _Reg2 if multiple regions exist
if length(regionStarts) > 1
regionEntry.name = sprintf('%04d_%s_Reg%d_%s.xy', specID, cleanRName, r, exEnergyStr);
else
regionEntry.name = sprintf('%04d_%s_%s.xy', specID, cleanRName, exEnergyStr);
end
% 2. Extract Data
hIdx = find(startsWith(strtrim(regionBlock), '# Cycle:'));
tempD = []; enAxis = [];
if ~isempty(hIdx)
for d = 1:length(hIdx)
cScn = 1; cCrv = 1;
headerStr = regionBlock(hIdx(d));
curveMatch = regexp(headerStr, 'Curve:\s*(\d+)', 'tokens', 'once');
if ~isempty(curveMatch), cCrv = str2double(curveMatch{1}) + 1; end
scanMatch = regexp(headerStr, 'Scan:\s*(\d+)', 'tokens', 'once');
if ~isempty(scanMatch), cScn = str2double(scanMatch{1}) + 1; end
row = hIdx(d) + 1;
while row <= length(regionBlock) && (startsWith(strtrim(regionBlock(row)), '#') || strlength(strtrim(regionBlock(row))) < 2), row = row + 1; end
dataS = row;
while row <= length(regionBlock) && ~startsWith(strtrim(regionBlock(row)), '#') && strlength(strtrim(regionBlock(row))) > 1, row = row + 1; end
if dataS < row
numCols = length(sscanf(regionBlock(dataS), '%f'));
raw = sscanf(join(regionBlock(dataS:row-1), ' '), '%f');
if ~isempty(raw) && numCols >= 2
m = reshape(raw, numCols, [])';
if isempty(enAxis), enAxis = m(:,1); end
tempD(1:size(m,1), cCrv, cScn) = m(:,2);
end
end
end
else
row = 1;
while row <= length(regionBlock) && (startsWith(strtrim(regionBlock(row)), '#') || strlength(strtrim(regionBlock(row))) < 2), row = row + 1; end
dataS = row;
while row <= length(regionBlock) && ~startsWith(strtrim(regionBlock(row)), '#') && strlength(strtrim(regionBlock(row))) > 1, row = row + 1; end
if dataS < row
numCols = length(sscanf(regionBlock(dataS), '%f'));
raw = sscanf(join(regionBlock(dataS:row-1), ' '), '%f');
if ~isempty(raw) && numCols >= 2
m = reshape(raw, numCols, [])';
enAxis = m(:,1);
tempD(1:size(m,1), 1, 1) = m(:,2);
end
end
end
% 3. Map Dimensions
if ~isempty(tempD)
image2D = squeeze(mean(tempD, 2, 'omitnan'));
if isvector(image2D), image2D = image2D(:); end
else
image2D = [];
end
regionEntry.image = {image2D};
regionEntry.imageRoh = {image2D};
if ~isnan(regionEntry.xRayEkin_eV)
regionEntry.xRayEkinRange_eV = [regionEntry.xRayEkin_eV regionEntry.xRayEkin_eV];
end
if ~isempty(enAxis)
enAxis = reshape(enAxis, 1, []);
regionEntry.scientaEkinRange_eV = [enAxis(1) enAxis(end)];
regionEntry.scientaEkinStep_eV = enAxis(2) - enAxis(1);
regionEntry.scientaEkin_eV = {enAxis};
regionEntry.scientaEkinRoh_eV = {enAxis};
end
regionEntry.scientaRegionIterations = size(tempD, 3);
if isempty(ProcessedXPS)
ProcessedXPS = regionEntry;
else
ProcessedXPS = [ProcessedXPS; regionEntry]; %#ok<AGROW>
end
end
catch ME
fprintf('Warning: Failed to parse %s (%s)\n', current_file_info.name, ME.message);
if isempty(ProcessedXPS), ProcessedXPS = current_file_info; else, ProcessedXPS = [ProcessedXPS; current_file_info]; end %#ok<AGROW>
end
end
end
TmpFileList{1} = ProcessedXPS;
end
disp('*************************************************')
disp('* Voila: Done reading & writing XPS data! *')
disp('*************************************************')
%% Read and write NEXAFS meta data
%
% The h5 file is much nicer organised, so we do not need string operations
% to select individual meta data. The data can be directly addressed and
% written into the list structure:
% if datenum(filedate_first) >= datenum('31-Dec-2017 23:59:00') %('31-Dec-2019 23:59:00')
for ii = 1:size(TmpFileList{2},1) % do this for each list element
% Get OS Dates
tmpCurrentFile = fullfile(TmpFileList{2}(ii).folder, TmpFileList{2}(ii).name);
% ==========================================================
% IN-MEMORY DATE RESTORATION
% Check if this file was created by the splitter. If yes,
% retrieve its historical dates from the memory map!
% ==========================================================
if exist('splitFileDatesMap', 'var') && isKey(splitFileDatesMap, TmpFileList{2}(ii).name)
savedDates = splitFileDatesMap(TmpFileList{2}(ii).name);
cDateOS = savedDates{1};
mDateOS = savedDates{2};
else
% Otherwise, just read the dates directly from the OS
[cDateOS, mDateOS] = getOSDates(tmpCurrentFile);
end
% START TIME: OS Creation Date (or mapped historical creation)
TmpFileList{2}(ii).creationDate = datevec(cDateOS);
% END TIME: OS Modification Date (or mapped historical modification)
TmpFileList{2}(ii).lastModifiedDatenum = datenum(mDateOS);
TmpFileList{2}(ii).lastModifiedDatestr = mDateOS;
% ==========================================================
try
% read data
%if datenum(filedate_first) <= datenum('21-Nov-2020 00:01:00') % Date not exaclty certain.
try
TmpImage= h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan_1/spectrum');
catch
try
TmpImage= h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/spectrum');
%else
catch
try
TmpImage = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/scienta spectrum');
catch
TmpImage = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/detector/data'); % pre-2020 (?) h5 structure
end
end
end
% import Photon Energy (cols)
try
TmpXrayEkin = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan_1/energy'); % X-ray excitation energy; Photon energy in eV
TmpXrayEkin(TmpXrayEkin==0)=[];
catch
try
TmpXrayEkin = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/energy'); % X-ray excitation energy; Photon energy in eV
TmpXrayEkin(TmpXrayEkin==0)=[];
catch
TmpXrayEkin = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/PhotonEnergy'); % X-ray excitation energy; Photon energy in eV
TmpXrayEkin(TmpXrayEkin==0)=[];
end
end
if ~isempty(TmpXrayEkin)
TmpFileList{2}(ii).xRayEkinRange_eV = [TmpXrayEkin(1) TmpXrayEkin(end)];
end
% Make unique
[TmpFileList{2}(ii).xRayEkin_eV, ind] = unique(TmpXrayEkin);
TmpFileList{2}(ii).image = TmpImage(:,ind);
TmpFileList{2}(ii).image = TmpImage(:,ind);
% NEXAFS pass energy
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan_1/snaps/PassEnergy'); % in eV
TmpFileList{2}(ii).scientaPassEnergy_eV = str2double(tmp(1,:));
catch
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/attrs/PassEnergy'); % in eV
TmpFileList{2}(ii).scientaPassEnergy_eV = str2double(tmp(1));
catch
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/PassEnergy'); % in eV
if tmp(1) == 1
TmpFileList{2}(ii).scientaPassEnergy_eV = 20;
elseif tmp(1) == 2
TmpFileList{2}(ii).scientaPassEnergy_eV = 50;
elseif tmp(1) == 3
TmpFileList{2}(ii).scientaPassEnergy_eV = 100;
elseif tmp(1) == 4
TmpFileList{2}(ii).scientaPassEnergy_eV = 200;
end
end
end
% NEXAFS dwell time
% if datenum(filedate_first) >= datenum('1-Feb-2020 23:59:00')
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan_1/snaps/ScientaStepTime')*1000; % in ms
catch
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/attrs/ScientaStepTime')*1000; % in ms
catch
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/attrs/StepTime')*1000; % in ms
catch
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/StepTime')*1000; % in ms
catch
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/ScientaStepTime')*1000;
end
end
end
end
TmpFileList{2}(ii).scientaDwellTime_ms = tmp(1);
% NEXAFS region Name
if TmpFileList{2}(ii).xRayEkinRange_eV(:,1) <= 530 && TmpFileList{2}(ii).xRayEkinRange_eV(:,2) >= 530
TmpFileList{2}(ii).regionName = 'O K-edge NEXAFS';
else
TmpFileList{2}(ii).regionName = 'NEXAFS';
end
% Acquisition mode
try
TmpFileList{2}(ii).scientaAcquisitionMode = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan_1/snaps/AcquisitionMode');
catch
try
TmpFileList{2}(ii).scientaAcquisitionMode = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/attrs/AcquisitionMode');
catch
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/AcquireMode');
if tmp(1) == 0
TmpFileList{2}(ii).scientaAcquisitionMode = "Swept";
elseif tmp(1) == 1
TmpFileList{2}(ii).scientaAcquisitionMode = "Fixed";
end
clear tmp
end
end
if strcmp(TmpFileList{2}(ii).scientaAcquisitionMode,'Fixed')
% NEXAFS kinetic energy window - fixed mode
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan_1/snaps/ScientaCenterEnergy'); % in eV
catch
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/attrs/ScientaCenterEnergy'); % in eV
catch
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/CenterEnergy'); % in eV
end
end
TmpFileList{2}(ii).scientaEkinRange_eV = [double(tmp(1))-TmpFileList{2}(ii).scientaPassEnergy_eV/20 double(tmp(1))+TmpFileList{2}(ii).scientaPassEnergy_eV/20];
TmpFileList{2}(ii).scientaEkin_eV = linspace(TmpFileList{2}(ii).scientaEkinRange_eV(:,1)...
,TmpFileList{2}(ii).scientaEkinRange_eV(:,2),size(TmpFileList{2}(ii).image,1))';
else
% NEXAFS kinetic energy window - scan mode
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan_1/snaps/ScientaLowEnergy'); % in eV
tmp2 = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan_1/snaps/ScientaHighEnergy');
catch
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/attrs/ScientaLowEnergy'); % in eV
tmp2 = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/attrs/ScientaHighEnergy');
catch
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/LowEnergy'); % in eV
tmp2 = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/HighEnergy');
end
end
TmpFileList{2}(ii).scientaEkinRange_eV = [tmp(1) tmp2(1)];
clearvars tmp
try
TmpFileList{2}(ii).scientaEkinStep_eV = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan_1/snaps/StepSize');
catch
try
TmpFileList{2}(ii).scientaEkinStep_eV = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/attrs/StepSize');
catch
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/StepSize');
TmpFileList{2}(ii).scientaEkinStep_eV = abs(tmp(1));
end
end
TmpFileList{2}(ii).scientaEkin_eV = [TmpFileList{2}(ii).scientaEkinRange_eV(:,1):TmpFileList{2}(ii).scientaEkinStep_eV(1):TmpFileList{2}(ii).scientaEkinRange_eV(:,2)]';
end
clearvars tmp
% read I_0
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan_1/i0');
catch
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/i0');
catch
end
end
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/RM2I0');
catch
end
try
TmpFileList{2}(ii).beamlineInt = abs(tmp(ind));
catch
TmpFileList{2}(ii).beamlineInt = NaN(size(ind,1),1);
end
% Lens Mode
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan_1/snaps/LensMode');
TmpFileList{2}(ii).scientaLensMode = tmp;
catch
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/attrs/LensMode');
TmpFileList{2}(ii).scientaLensMode = tmp{1};
catch
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/LensMode');
TmpFileList{2}(ii).scientaLensMode = num2str(tmp(1));
end
end
clearvars tmp
try
TmpFileList{2}(ii).scientaRegionIterations = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan_1/snaps/NumIterations');
catch
try
TmpFileList{2}(ii).scientaRegionIterations = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/scan 1/attrs/NumIterations');
catch
try
tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/NumIterations');
TmpFileList{2}(ii).scientaRegionIterations = double(tmp(1));
catch
TmpFileList{2}(ii).scientaRegionIterations = 1;
end
end
end
TmpFileList{2}(ii).scientaSequenceIterations = 1;
catch
warning('Problem with a NEXAFS data file in NEXAFS list')
disp('Problem with a NEXAFS data file in NEXAFS list')
fprintf('Number %.0f: %s \n',ii,[TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name])
fprintf('Number %.0f: %s \n',ii,datestr(TmpFileList{2}(ii).datenum))
end
TmpFileList{2}(ii).imageRoh = TmpFileList{2}(ii).image;
% TmpFileList{2}(ii).spectrum_countsPerSecondRoh = TmpFileList{2}(ii).spectrum_countsPerSecond;
% log
TmpFileList{2}(ii).importDate = datestr(now);
try
TmpFileList{2}(ii).analysisDir = file.mFile;
catch
TmpFileList{2}(ii).analysisDir = pwd;
end
end
% else
% for ii = 1:size(TmpFileList{2},1) % do this for each list element
% try
% % NEXAFS pass energy
% tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/PassEnergy'); % in eV
% % TODO: Confirm that this assignment is correct. (The number refer to the list number in epics software)
% if tmp(1) == 1
% TmpFileList{2}(ii).passEnergy_eV = {[20]};
% elseif tmp(1) == 2
% TmpFileList{2}(ii).passEnergy_eV = {[50]};
% elseif tmp(1) == 3
% TmpFileList{2}(ii).passEnergy_eV = {[100]};
% elseif tmp(1) == 4
% TmpFileList{2}(ii).passEnergy_eV = {[200]};
% end
%
% % NEXAFS dwell time
% if datenum(filedate_first) >= datenum('1-Feb-2020 23:59:00')
% tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/ScientaStepTime')*1000; % in ms
%
% else
% tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/StepTime')*1000; % in ms
% end
% TmpFileList{2}(ii).dwellTime_ms = tmp(1);
% % NEXAFS region Name
% TmpFileList{2}(ii).regionName = 'NEXAFS';
% % FIXME: Can we differentiate O K-edge, N K-edge, C K-edge based on the h5-file meta data?
%
% % NEXAFS kinetic energy window
% tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/LowEnergy'); % in eV
% tmp2 = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/HighEnergy');
% TmpFileList{2}(ii).kinRange_eV = [tmp(1) tmp2(1)];
%
% % Lens mode
% tmp = h5read([TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name],'/entry/instrument/NDAttributes/LensMode');
% TmpFileList{2}(ii).scientaLensMode = tmp{1};
% clearvars tmp
% catch
% warning('Problem with a NEXAFS data file in NEXAFS list')
% disp('Problem with a NEXAFS data file in NEXAFS list')
% fprintf('Number %.0f: %s \n',ii,[TmpFileList{2}(ii).folder filesep TmpFileList{2}(ii).name])
% fprintf('Number %.0f: %s \n',ii,datestr(TmpFileList{2}(ii).datenum))
% end
%
% end
% end
disp('*************************************************')
disp('* Voila: Done reading and writing NEXAFS data! *')
disp('*************************************************')
%% Create Picture List
%
% The file structure needs same number of fields as SES and NEXAFS data.
% Set them to NaN (Not-a-Number).
for ii = 1:size(TmpFileList{3},1) % do this for each picture in the list
% Get OS Dates
tmpCurrentFile = fullfile(TmpFileList{3}(ii).folder, TmpFileList{3}(ii).name);
[cDateOS, ~] = getOSDates(tmpCurrentFile);
% START TIME: OS Creation Date
TmpFileList{3}(ii).creationDate = datevec(cDateOS);
% END TIME: Robust OS Modification Date
TmpFileList{3}(ii).lastModifiedDatenum = TmpFileList{3}(ii).datenum;
TmpFileList{3}(ii).lastModifiedDatestr = TmpFileList{3}(ii).date;
end
%% Merge lists into one
%
%% Merge lists into one
ListFiles = table();
for i = 1:length(TmpFileList)
if ~isempty(TmpFileList{i})
% Convert struct to table
tmpTable = struct2table(TmpFileList{i}, 'AsArray', true);
% Ensure the 'name' column is a cell-string for consistency
if iscell(tmpTable.name) == 0
tmpTable.name = cellstr(tmpTable.name);
end
% Merge using helper
if isempty(ListFiles)
ListFiles = tmpTable;
else
ListFiles = outerjoinRowToTable(ListFiles, tmpTable);
end
end
end
% Remove rows where the 'image' column is empty
% not sure why this code is here, probably a workaround for earlier errors.
% Identify rows where the 'image' column is empty
tmpEmptyImgLogic = cellfun(@isempty, ListFiles.image);
% Extract the names of those files for the warning
tmpDeletedNames = ListFiles.name(tmpEmptyImgLogic);
% If any were found, display the warning
if ~isempty(tmpDeletedNames)
warning('The following files were removed because they contain no image data:');
fprintf(' - %s\n', tmpDeletedNames{:}); % Vectorized print of all names
end
% Actually remove the rows from the table
ListFiles(tmpEmptyImgLogic, :) = [];
clearvars -except ListFiles server dataPath* p
%% Sort by date
% sort the table based on the time (6th column, datenum)
ListFiles = sortrows(ListFiles,6);
% Then, remove un-needed columns
ListFiles = removevars(ListFiles,{'bytes','isdir'});
disp('*************************************************')
disp('* Voila: Done creating data list! *')
disp('*************************************************')
%% Import LabView data
%
if matches(p.Results.importLabView,'on')
if isfolder(dataPath_LabView) % verify that this folder exists.
try
% Get list of all files in that folder
TmpFileList = dir([dataPath_LabView filesep '**' filesep '20*.dat']);
% import LabView data
LabView = LabView_importData(fullfile(TmpFileList(1).folder,TmpFileList(1).name)); % Overwrite LabView data in workspace, if this is the first import
if size(TmpFileList,1) > 1 % for additional data files, add these to the LabView data structure.
for ii = 2:size(TmpFileList,1)
LabView = LabView_importData(fullfile(TmpFileList(ii).folder,TmpFileList(ii).name),LabView);
end
end
catch
warning('Problem with LabView file')
disp('Problem reading LabView file')
end
try
% Get list of all files in that folder
TmpFileList = dir([dataPath_LabView filesep '**' filesep 'logfile*.txt']);
% import LabView data
LabView = LabView_importData(fullfile(TmpFileList(1).folder,TmpFileList(1).name)); % Overwrite LabView data in workspace, if this is the first import
if size(TmpFileList,1) > 1 % for additional data files, add these to the LabView data structure.
for ii = 2:size(TmpFileList,1)
LabView = LabView_importData(fullfile(TmpFileList(ii).folder,TmpFileList(ii).name),LabView);
end
end
catch
warning('Problem with LabView file')
disp('Problem reading LabView file')
end
end
disp('*************************************************')
disp('* Voila: Done reading LabView data! *')
disp('*************************************************')
clearvars TmpFileList
try
% combine data and/or rename
LabView = LabView_combine(LabView);
catch
warning('Problem with LabView file')
disp('Problem merging LabView files')
disp('Check number of columns for each file')
end
%% Extent list with LabView data
%Query time of each data file and get LabView log for that time.
for ii = 1:size(ListFiles,1)
try
% The time of the data and the logging of LabView are not
% necessarily occurring at precisely the same time. So, here define
% a time range (50 seconds) and get all
% data between these times.
tse1 = tsdata.event('Start',datenum(ListFiles.datenum(ii)),'Datenum');
tse2 = tsdata.event('End',datenum(ListFiles.datenum(ii)+seconds(50)),'Datenum');
tmp = gettsbetweenevents(LabView.merge,tse1,tse2);
if ~isempty(tmp.Data) % only do this if LabView data are not missing (because data logging was off).
% Cryo-holder set T (Sample holder temperature is in field ts.Data:1)
ListFiles.sampleTemp_dC(ii) = tmp.Data(1,1); % in �C (only get data in first row of tmp)
% Cell pressure
% (TODO: Pick correct Baratron read out: either field: ts.Data 4,8,and 9)
ListFiles.cellPressure_mbar(ii) = tmp.Data(1,4); % in mbar
% vapour pressure over ice:
if ListFiles.cellPressure_mbar(ii) >= 0
% Marti, J., and K. Mauersberger, Geophys. Res.Lett., 20, 363?366, 1993.
% gives parameterisation from 169 - 273K in Pa. (log10(p)= A1/T+B)
A_1 = -2663.5;
B_1 = 12.537;
ListFiles.iceTemp_dC(ii) = A_1/(log10(ListFiles.cellPressure_mbar(ii)*100)-B_1)-273.15;
else
ListFiles.iceTemp_dC(ii) = NaN;
end
if datenum(ListFiles.datenum(ii)) >= datenum('04-Mar-2019 13:30:00') % import additional data, logged after 03/2019
ListFiles.smplX_mm(ii) = tmp.Data(1,10);
ListFiles.smplY_mm(ii) = tmp.Data(1,11);
ListFiles.smplZ_mm(ii) = tmp.Data(1,12);
ListFiles.sealingTemp(ii) = tmp.Data(1,13);
else % if these sub-set of data is not logged, set to NaN
ListFiles.smplX_mm(ii) = NaN;
ListFiles.smplY_mm(ii) = NaN;
ListFiles.smplZ_mm(ii) = NaN;
ListFiles.sealingTemp(ii) = NaN;
end
else % if there are no LabView data stored, set all entries to NaN
ListFiles.sampleTemp_dC(ii) = NaN;
ListFiles.iceTemp_dC(ii) = NaN;
ListFiles.cellPressure_mbar(ii) = NaN;
ListFiles.smplX_mm(ii) = NaN;
ListFiles.smplY_mm(ii) = NaN;
ListFiles.smplZ_mm(ii) = NaN;
ListFiles.sealingTemp(ii) = NaN;
end
clearvars tmp
catch
warning('Problem merging LabView data into data table')
disp('Problem merging LabView data into data table')
%fprintf('Number %.0f: %s \n',ii,[ListFiles.folder(ii) filesep ListFiles.name(ii)])
%fprintf('Number %.0f: %s \n',ii,datestr(ListFiles.datenum(ii)))
end
end
disp('*************************************************')
disp('* Voila: Done writing LabView data! *')
disp('*************************************************')
end
%% Make table nicer
%
if ~iscell(ListFiles.xRayEkin_eV)
% Use num2cell to wrap the existing numbers in cells.
ListFiles.xRayEkin_eV = num2cell(ListFiles.xRayEkin_eV);
end
if ~iscell(ListFiles.scientaEkin_eV)
for ii = 1:size(ListFiles,1)
tmp{ii,:} = ListFiles.scientaEkin_eV(ii,:);
end
ListFiles.scientaEkin_eV = tmp;
end
% -------------------------------------------------------------------------
% MAP DATES & CLEANUP
% -------------------------------------------------------------------------
% Delete the raw OS fields and the temporary uppercase fields to avoid duplicates
ListFiles = removevars(ListFiles, {'date','datenum'});
% Move Dates upfront
ListFiles = movevars(ListFiles,'lastModifiedDatestr','After','creationDate');
ListFiles = movevars(ListFiles,'lastModifiedDatenum','After','creationDate');
% -------------------------------------------------------------------------
% Copy Ekin Data
existColumn = strcmp('scientaEkinRoh_eV',ListFiles.Properties.VariableNames);
if any(existColumn)
ListFiles = removevars(ListFiles,'scientaEkinRoh_eV');
end
existColumn = strcmp('scientaEkinRoh_eV',ListFiles.Properties.VariableNames);
if ~any(existColumn)
% save current ekin data before they are modified
ListFiles.scientaEkinRoh_eV= ListFiles.scientaEkin_eV;
end
if ~iscell(ListFiles.scientaEkinRoh_eV)
for ii = 1:size(ListFiles,1)
tmp{ii,:} = ListFiles.scientaEkinRoh_eV(ii,:);
end
ListFiles.scientaEkinRoh_eV = tmp;
end
% add the imported data to previous list (if passed to function upon call)
if istable(p.Results.DataTable) % do this only if previous list was input to function call
% find table variables that are missing in ListFiles
existColumn = strcmp('sample',p.Results.DataTable.Properties.VariableNames);
if ~any(existColumn)
p.Results.DataTable.sample = cellstr(repmat(' ',size(p.Results.DataTable,1),1));
end
tmpMissing = ~ismember(p.Results.DataTable.Properties.VariableNames,ListFiles.Properties.VariableNames);
% find all table variables that are cells
tmpCell = cellfun(@(x) iscell(p.Results.DataTable.(x)), p.Results.DataTable.Properties.VariableNames);
% find all table variables that are numbers
tmpNumber = cellfun(@(x) isnumeric(p.Results.DataTable.(x)), p.Results.DataTable.Properties.VariableNames);
% table variabes that hold cells and are missing
tmpCellVariables = p.Results.DataTable.Properties.VariableNames(tmpMissing & tmpCell);
% table variables that hold numbers and are missing
tmpNumberVariables = p.Results.DataTable.Properties.VariableNames(tmpMissing & tmpNumber);
% add empty table variables for missing cell and for number variables
if ~isempty(tmpCellVariables)
for i = 1: size(p.Results.DataTable(:,tmpMissing & tmpCell),2)
ListFiles = addvars(ListFiles,cell(size(ListFiles,1),1),'NewVariableNames',tmpCellVariables{i});
end
end
if ~isempty(tmpNumberVariables)
for i = 1: size(p.Results.DataTable(:,tmpMissing & tmpNumber),2)
ListFiles = addvars(ListFiles,nan(size(ListFiles,1),1),'NewVariableNames',tmpNumberVariables{i});
end
end
% % % sort the tables, if they have not the same order
% tmpCompareTables = cellfun(@isequal, ListFiles.Properties.VariableNames', p.Results.DataTable.Properties.VariableNames');
%
% if ~all(tmpCompareTables)
% indexDifferenzes = find(ismember(p.Results.DataTable.Properties.VariableNames',ListFiles.Properties.VariableNames(~tmpCompareTables)','rows'));
% nameListFiles =ListFiles.Properties.VariableNames(~tmpCompareTables);
%
% for ii = 1:size(indexDifferenzes,1)
% tmpIndx = find(ismember(p.Results.DataTable.Properties.VariableNames',nameListFiles{ii},'rows'));
% tmpPreviousVarName = p.Results.DataTable.Properties.VariableNames{tmpIndx-1};
% ListFiles = movevars(ListFiles,nameListFiles{ii},'After',tmpPreviousVarName);
% fprintf("%s comes after %s \n", nameListFiles{ii},tmpPreviousVarName)
% end
%
% end
% merge tables (append imported data to previous table)
% ListFiles = [p.Results.DataTable; ListFiles];
ListFiles = outerjoinRowToTable(p.Results.DataTable, ListFiles);
% Then, we sort the table based on the time (datenum)
ListFiles = sortrows(ListFiles,'lastModifiedDatenum');
end
%% Export
ExportList = removevars(ListFiles, {'image', 'scientaEkin_eV', 'beamlineInt', 'imageRoh', 'scientaEkinRoh_eV', 'xRayEkin_eV'});
% TODO check windows formatting
try
% write a ;-separated list for export to excel.
writetable(ExportList,fullfile(dataPath,[datestr(ExportList.lastModifiedDatenum(1),'mmmYYYY') '_DataList.csv']),'Delimiter',',');
if ispc
% and open in Excel; works only on Windows Machines
winopen(fullfile(dataPath,[datestr(ExportList.lastModifiedDatenum(1),'mmmYYYY') '_DataList.csv']));
end
catch
warning('Problem writing Excel File (*.csv). Make sure it is not open in Excel')
end
disp('*************************************************')
disp('* Voila: nappFileList.m finished ! *')
disp('*************************************************')
end
function LabView = LabView_importData(fullFileName,varargin)
%
% LabView_importData reads data log ASCII files stored by LabView into
% a Matlab time series.
%
% LabView = LabView_importData(A) imports file A
% and stores its content as time series in a structure called "LabView".
%
% LabView = LabView_importData(A,LabView) imports file A
% and appends its content as time series to the LabView structure.
%
%
% Example
% LabView = LabView_importData('exmpl.dat',LabView)
%
% Input
% * Napp_chamber_file: Complete and absolute path to the Napp chamber log file.
% * LabView: name of output structure. Always call this'LabView'
%
% Output
% * LabView: time series, the name starting with "ts"
% followed by date and time the recording started.
%
% See also LABVIEW_COMBINE, LABVIEW_PLOT, LABVIEW_CUTDATA
%
%% Data Structure
%
% Data structure before 4.3.2019
% col 1: Date
% col 2: Time
% col 3: Reservoir "Pressure 1" - Unit "1 water" - mbar -> ts.Data:2
% col 4: Reservoir "Pressure 2" - Unit "2 other" - mbar -> ts.Data:3
% col 5: Baratron 1 - cell - 1mbar max - mbar -> ts.Data:4
% col 6: Baratron 2 - cell - 10mbar max - mbar -> ts.Data:8
% col 7: Baratron 3 - cell - 0.05mbar max - mbar -> ts.Data:9
% col 8: Baratron 4 - - mbar
% col 9: Temp.Ice Sample - �C -> ts.Data:1
% col 10: Temp.Heated Sample
% col 11: none
% col 12: Temp. Reservoir "Cooler 1" - �C -> ts.Data:5
% col 13: Temp. Reservoir "Cooler 2" - �C -> ts.Data:6
% col 14: Flow He(cryoholder) - l/min -> ts.Data:7
% col 15: none
% col 16: none
%
% Data structure after 4.3.2019
% col 1: Date
% col 2: Time
% col 3: Reservoir "Pressure 1" - Unit "1 water" - mbar -> ts.Data:2
% col 4: Reservoir "Pressure 2" - Unit "2 other" - mbar -> ts.Data:3
% col 5: Baratron 1 - cell - 1mbar max - mbar -> ts.Data:4
% col 6: Baratron 2 - cell - 10mbar max - mbar -> ts.Data:8
% col 7: Baratron 3 - cell - 0.05mbar max - mbar -> ts.Data:9
% col 8: Baratron 4 - - mbar
% col 9: Temp.Ice Sample - �C -> ts.Data:1
% col 10: Temp.Heated Sample
% col 11: Temp. Reservoir "Cooler 1" - �C -> ts.Data:5
% col 12: Temp. Reservoir "Cooler 2" - �C -> ts.Data:6
% col 13: Flow He(cryoholder) - l/min -> ts.Data:7
% col 14: Flow gas 1
% col 15: Pressure chamber - mbar
% col 16: x-position of cryoholder - mm -> ts.Data:10
% col 17: y-position of cryoholder - mm -> ts.Data:11
% col 18: z-position of cryoholder - mm -> ts.Data:12
% col 19: nothing
% col 20: Temp.Sealing - �C -> ts.Data:13
%%
% Create an InputParser object
p = inputParser;
% Add inputs to the scheme.
defaultAppendToStructure = 0;
addRequired(p,'fullFileName',@isfile);
addOptional(p,'appendToStructure',defaultAppendToStructure,@isstruct);
% Parse the inputs.
parse(p,fullFileName,varargin{:})
%%
% get filedate
[~,name,~] = fileparts(p.Results.fullFileName);
tmp = strsplit(name,'_PC');
filedate = datenum(tmp{1},'yyyy-mm-dd_HH.MM.SS');
clearvars name tmp
%%
% parse structure to append to
if isstruct(p.Results.appendToStructure)
LabView = p.Results.appendToStructure;
end
%%
if datenum(filedate) <= datenum('04-Mar-2019 13:30:00')
fid = fopen(p.Results.fullFileName);
data = textscan(fid, ...
'%s %s %f %f %f %f %f %f %f %f %f %f %f %f %f %f',...
'HeaderLines',1); % data file has 2 text columns, followed by 14 numeric columns
fclose(fid);
% define time series
LabView.(['ts_' datestr(datenum([char(data{1}{1}), char(data{2}{1})],'dd.mm.yyyyHH:MM:SS'),'YYYYmmdd_HHMM')]) ...
= timeseries([data{9} data{3} data{4} data{5} data{12} ...
data{13} data{14} data{6} data{7}] , ...
datestr(datenum([char(data{1}), char(data{2})],...
'dd.mm.yyyyHH:MM:SS'),0));
LabView.(['ts_' datestr(datenum([char(data{1}{1}), char(data{2}{1})],'dd.mm.yyyyHH:MM:SS'),'YYYYmmdd_HHMM')]).Name ...
= 'Readout Napp Chamber raw signal';
clear fid ans formatOut nans t x
elseif datenum(filedate) >= datenum('15-Sep-2021 01:00:00') && datenum(filedate) <= datenum('01-Apr-2023 01:00:00')
% during this time, date and time were in american format.
fid = fopen(p.Results.fullFileName);
data = textscan(fid, ...
'%s %s %s %f %f %f %f %f %f %f %f %f %f %f %f %f %f %f %f %f %f',...
'HeaderLines',1); %
fclose(fid);
% the date formating in the dat file is really messed up. Try to make
% it consitent with MATLAB. The problem is that MATLAB does not
% understand 1 digit month and hours.
%
%
% Split the date in column 1 into year,month,day
newDateSplit = cellfun(@(x) split(char(x),'/'),data{1},'UniformOutput', false);
% Split the time in column 2 into hours, minutes, seconds
newTimeSplit = cellfun(@(x) split(char(x),':'),data{2},'UniformOutput', false);
% combine both with the am/pm string in column 3 to a new datestring
customDateStr = cellfun(@(x,y,z) [datestr(datenum([str2double(x{3}),str2double(x{1}),str2double(x{2}),str2double(y{1}),str2double(y{2}),str2double(y{3})])), ' ', char(z)], newDateSplit,newTimeSplit,data{3}, 'uniformOutput',false) ;
% define time series
LabView.(['ts_' datestr(customDateStr{1},'YYYYmmdd_HHMM')]) ...
= timeseries([data{10} data{4} data{5} data{6} data{12} ...
data{13} data{14} data{7} data{8} data{17} data{18} data{19} data{21}], ...
customDateStr);
LabView.(['ts_' datestr(customDateStr{1},'YYYYmmdd_HHMM')]).Name ...
= 'Readout Napp Chamber raw signal';
clearvars fid ans formatOut nans t x new* custom*
elseif datenum(filedate) >= datenum('01-Apr-2023 02:00:00')
fid = fopen(p.Results.fullFileName);
data = textscan(fid, ...
'%s %s %f %f %f %f %f %f %f %f %f %f %f %f %f %f %f %f %f %f',...
'HeaderLines',1);
% data file has 2 text columns, followed by 18 numeric columns (THE AM
% PM IS MISSING and some changes to the LabView file. Confirm with Luca....)
fclose(fid);
% define time series
LabView.(['ts_' datestr(datenum([char(data{1}{1}), char(data{2}{1})],'dd.mm.yyyyHH:MM:SS'),'YYYYmmdd_HHMM')]) ...
= timeseries([data{9} data{3} data{4} data{5} data{11} ...
data{12} data{20} data{6} data{7} data{15} data{16} data{17} data{19}] , ...
datestr(datenum([char(data{1}), char(data{2})],...
'dd.mm.yyyyHH:MM:SS'),0));
LabView.(['ts_' datestr(datenum([char(data{1}{1}), char(data{2}{1})],'dd.mm.yyyyHH:MM:SS'),'YYYYmmdd_HHMM')]).Name ...
= 'Readout Napp Chamber raw signal';
clear fid ans formatOut nans t x
else
fid = fopen(p.Results.fullFileName);
data = textscan(fid, ...
'%s %s %f %f %f %f %f %f %f %f %f %f %f %f %f %f %f %f %f %f',...
'HeaderLines',1); % data file has 2 text columns, followed by 14 numeric columns
fclose(fid);
% define time series
LabView.(['ts_' datestr(datenum([char(data{1}{1}), char(data{2}{1})],'dd.mm.yyyyHH:MM:SS'),'YYYYmmdd_HHMM')]) ...
= timeseries([data{9} data{3} data{4} data{5} data{11} ...
data{12} data{13} data{6} data{7} data{16} data{17} data{18} data{20}] , ...
datestr(datenum([char(data{1}), char(data{2})],...
'dd.mm.yyyyHH:MM:SS'),0));
LabView.(['ts_' datestr(datenum([char(data{1}{1}), char(data{2}{1})],'dd.mm.yyyyHH:MM:SS'),'YYYYmmdd_HHMM')]).Name ...
= 'Readout Napp Chamber raw signal';
clear fid ans formatOut nans t x
end
end
function data_structure = LabView_combine(data_structure)
% LabView_combine can be used to merge time series into one.
%
% LabView = LabView_combine(LabView) merges all timeseries in the structure
% LabView into the new timeseries "merge"
% and adds this timeseries to the LabView structure
%
%
% Input
% * data_structure: name of the structure holding the time series
%
% Output
% * data_structure.merge: New time series combining all ts in this structure
%
% See also LABVIEW_IMPORTDATA, LABVIEW_PLOT
% delete previous merged data
if isfield(data_structure,'merge')
data_structure = rmfield(data_structure, 'merge');
end
% sort them chronologically
data_structure = orderfields(data_structure);
% query list of time series
list_ts = fieldnames(data_structure);
% and merge all of them into one time series
for ii = 1:length(list_ts)
if ii == 1
data_structure.merge = data_structure.(list_ts{1});
else
data_structure.merge = append(data_structure.merge,data_structure.(list_ts{ii}));
end
end
end
function newFiles = splitH5Scans(infile)
% splitH5Scans - Split an HDF5 file containing multiple scans into separate files
%
%
% This function takes an HDF5 file with multiple scan groups (scan_1, scan_2, etc.)
% and creates separate files for each scan. Each output file contains only one
% scan (renamed to scan_1) plus the logs group. The original file is deleted after
% successful splitting.
%
% SYNTAX:
% splitH5Scans(infile)
%
% INPUT:
% infile - String containing the full path to the input HDF5 file
% Example: '0002_20251119_145823_O_Kedge_Nov25.h5'
%
% OUTPUT:
% Creates new HDF5 files in the same directory as the input file.
% Each file is named: [original_name]_scan_N.h5
% Example outputs:
% 0002_20251119_145823_O_Kedge_Nov25_scan_1.h5
% 0002_20251119_145823_O_Kedge_Nov25_scan_2.h5
%
% REQUIREMENTS:
% - MATLAB with HDF5 support (R2011a or later)
% - Input file must have more than 3 root-level groups to be processed
%
% EXAMPLE:
% splitH5Scans('0002_20251119_145823_O_Kedge_Nov25.h5');
%
% Author: Perplexity and Thorsten
% Date: November 2025
% Read the structure of the HDF5 file to see what groups it contains
% h5info returns information about groups, datasets, and attributes
newFiles = {}; % Initialize the output cell array
fileinfo = h5info(infile);
% Get the original file's true OS dates BEFORE we start modifying it!
[orig_cDateOS, orig_mDateOS] = getOSDates(infile);
% Extract the names of all groups at the root level of the file
% Example: {'/scan_1', '/scan_2', '/logs', '/__DATA_TYPES__'}
groupnames = {fileinfo.Groups.Name};
% Only process files that have more than 3 groups at the root level
% This ensures we only split files with multiple scans
if numel(groupnames) > 3
% Find which groups are scan groups (contain 'scan_' in their name)
% This returns a logical array: true for scan groups, false otherwise
is_scan = contains(groupnames, 'scan_');
% Extract only the scan group names
% Example: {'/scan_1', '/scan_2'}
scan_names = groupnames(is_scan);
% Split the input filename into its components
% filepath: directory where file is located (e.g., 'C:\Data\')
% base: filename without extension (e.g., '0002_20251119_145823_O_Kedge_Nov25')
% ext: file extension (e.g., '.h5')
[filepath, base, ext] = fileparts(infile);
% If no directory path, use current directory
if isempty(filepath)
filepath = '.';
end
% Extract the file number prefix and rest of the name using pattern matching
% regexp splits '0002_20251119_145823_O_Kedge_Nov25' into:
% prefix = '0002_'
% rest = '20251119_145823_O_Kedge_Nov25'
pieces = regexp(base, '(\d+_)(.*)', 'tokens', 'once');
prefix = pieces{1}; % The number at the start (e.g., '0002_')
rest = pieces{2}; % Everything after the number
% Loop through each scan group and create a separate file for it
for k = 1:numel(scan_names)
% Get the full path of the current scan group
% Example: '/scan_1' or '/scan_2'
scan_group_full = scan_names{k};
% Remove the leading '/' from the scan name for use in filename
% Example: '/scan_2' becomes 'scan_2'
scan_name_clean = regexprep(scan_group_full, '^/', '');
% Build the output filename in the same directory as input file
% Example: 'C:\Data\0002_20251119_145823_O_Kedge_Nov25_scan_2.h5'
outname = fullfile(filepath, sprintf('%s%s_%s%s', prefix, rest, scan_name_clean, ext));
% Save the new filename to the output array
[~, base_out, ext_out] = fileparts(outname);
newFiles{end+1} = [base_out, ext_out];
% Copy the entire original file to create the new output file
% We'll modify this copy to keep only one scan
copyfile(infile, outname);
% Open the new file for reading and writing using low-level HDF5 functions
% fid is a file identifier used to reference this file
% 'H5F_ACC_RDWR' means read and write access
fid = H5F.open(outname, 'H5F_ACC_RDWR', 'H5P_DEFAULT');
% Delete all scan groups except the one we want to keep
% Loop through all scan groups in the original file
for j = 1:numel(scan_names)
other_scan = scan_names{j}; % Get the name of another scan group
% If this is not the scan we want to keep, delete it
if j ~= k
try
% H5L.delete removes the link (reference) to the group
% This makes the group inaccessible but doesn't free space
H5L.delete(fid, other_scan, 'H5P_DEFAULT');
catch
% If deletion fails (e.g., group doesn't exist), continue
% The catch block prevents the script from stopping on errors
end
end
end
% Rename the kept scan group to '/scan_1' for consistency
% This way every output file has a group called '/scan_1'
if ~strcmp(scan_group_full, '/scan_1')
% H5L.move renames/moves a group within the file
% Parameters: source_file, old_path, dest_file, new_path, options
H5L.move(fid, scan_group_full, fid, '/scan_1', 'H5P_DEFAULT', 'H5P_DEFAULT');
end
% Close the HDF5 file to save all changes
H5F.close(fid);
% ==========================================================
% RESTORE ORIGINAL OS DATES TO THE NEW FILE
% ==========================================================
if ispc
% Windows: Use .NET to set BOTH Creation and Modification time
try
fileObj = System.IO.FileInfo(outname);
fileObj.CreationTime = System.DateTime.Parse(orig_cDateOS);
fileObj.LastWriteTime = System.DateTime.Parse(orig_mDateOS);
catch
end
elseif ismac || isunix
% Mac/Linux: Use 'touch' to restore Modification time
try
timestamp_str = string(datetime(orig_mDateOS), 'yyyyMMddHHmm.ss');
system(sprintf('touch -m -t %s "%s"', timestamp_str, outname));
catch
end
% NOTE: Mac OS makes it incredibly difficult to change the Birth (Creation)
% time via standard commands. However, because we restored the Modification
% time perfectly, our "Paradox Check" in the main loop will automatically
% step in, realize Creation is newer than Modification, and fix the
% Creation date for us in the data table!
end
% ==========================================================
% Print confirmation message showing which file was created
% fprintf('Created: %s\n', outname);
end
% After all split files are successfully created, delete the original file
delete(infile);
% fprintf('Deleted original file: %s\n', infile);
else
% If the file has 3 or fewer groups, it doesn't need splitting
% disp('File has three or fewer groups. No processing required.');
end
end
function [creationDateOS, lastModifiedDate] = getOSDates(fullPath)
% GETOSDATES Extracts the true OS-level creation and modification dates
% Get standard modification date
d = dir(fullPath);
if isempty(d)
creationDateOS = '';
lastModifiedDate = '';
return;
end
lastModifiedDate = d.date;
% Get Creation Date based on Operating System
if ispc
% Windows: Use .NET framework for accurate Creation Time
try
fileObj = System.IO.FileInfo(fullPath);
creationDateOS = char(fileObj.CreationTime.ToString('dd-MMM-yyyy HH:mm:ss'));
catch
creationDateOS = d.date; % Fallback
end
elseif ismac || isunix
% macOS/Linux: Use the stat command to get the "Birth" time
[status, cmdOut] = system(['stat -f "%SB" -t "%d-%b-%Y %H:%M:%S" "', fullPath, '"']);
if status == 0
creationDateOS = strtrim(cmdOut);
% ==========================================================
% macOS COPIED FILE WORKAROUND
% If copied/downloaded, macOS sets Birth Time to 'today' but
% keeps the old Modification Time. If Creation > Modification,
% use the older Modification time as the true origin!
% ==========================================================
try
if datetime(creationDateOS) > datetime(lastModifiedDate)
creationDateOS = lastModifiedDate;
end
catch
% Silently continue if datetime conversion fails
end
% ==========================================================
else
creationDateOS = d.date; % Fallback
end
end
end