Source code for nexusLIMS.extractors.digital_micrograph

#  NIST Public License - 2023
#
#  See the LICENSE file in the root of this project
#
"""Parse and extract metadata from files saved by Gatan's DigitalMicrograph software."""
import logging
import os
from datetime import datetime as dt
from pathlib import Path
from struct import error
from typing import Dict, List

import numpy as np
from hyperspy.exceptions import (
    DM3DataTypeError,
    DM3FileVersionError,
    DM3TagError,
    DM3TagIDError,
    DM3TagTypeError,
)
from hyperspy.io import load as hs_load

from nexusLIMS.extractors.utils import (
    _coerce_to_list,
    _find_val,
    _parse_filter_settings,
    _set_acquisition_device_name,
    _set_camera_binning,
    _set_eds_meta,
    _set_eels_meta,
    _set_eels_processing,
    _set_eels_spectrometer_meta,
    _set_exposure_time,
    _set_gms_version,
    _set_image_processing,
    _set_si_meta,
    _try_decimal,
)
from nexusLIMS.instruments import get_instr_from_filepath
from nexusLIMS.utils import (
    get_nested_dict_key,
    get_nested_dict_value_by_path,
    remove_dict_nones,
    remove_dtb_element,
    set_nested_dict_value,
    sort_dict,
    try_getting_dict_value,
)

logger = logging.getLogger(__name__)


[docs]def get_dm3_metadata(filename: Path): # noqa: PLR0912 """ Get metadata from a dm3 or dm4 file. Returns the metadata from a .dm3 file saved by Digital Micrograph, with some non-relevant information stripped out, and instrument specific metadata parsed and added by one of the instrument-specific parsers. Parameters ---------- filename : str path to a .dm3 file saved by Gatan's Digital Micrograph Returns ------- metadata : dict or None The extracted metadata of interest. If None, the file could not be opened """ # We do lazy loading so we don't actually read the data from the disk to # save time and memory. try: s = hs_load(filename, lazy=True) except ( DM3DataTypeError, DM3FileVersionError, DM3TagError, DM3TagIDError, DM3TagTypeError, error, ) as exc: logger.warning( "File reader could not open %s, received exception: %s", filename, repr(exc), ) return None if isinstance(s, list): # s is a list, rather than a single signal m_list = [{}] * len(s) for i, _ in enumerate(s): m_list[i] = s[i].original_metadata else: s = [s] m_list = [s[0].original_metadata] for i, m_tree in enumerate(m_list): # Important trees: # DocumentObjectList # Contains information about the display of the information, including bits # about annotations that are included on top of the image data, the CLUT # (color look-up table), data min/max. # # ImageList # Contains the actual image information # Remove the trees that are not of interest: for tag in [ "ApplicationBounds", "LayoutType", "DocumentTags", "HasWindowPosition", "ImageSourceList", "Image_Behavior", "InImageMode", "MinVersionList", "NextDocumentObjectID", "PageSetup", "Page_Behavior", "SentinelList", "Thumbnails", "WindowPosition", "root", ]: m_tree = remove_dtb_element(m_tree, tag) # noqa: PLW2901 # Within the DocumentObjectList tree, we really only care about the # AnnotationGroupList for each TagGroup, so go into each TagGroup and # delete everything but that... # NB: the hyperspy DictionaryTreeBrowser __iter__ function returns each # tree element as a tuple containing the tree name and the actual # tree, so we loop through the tag names by taking the first part # of the tuple: for tg_name, tag in m_tree.DocumentObjectList: # tg_name should be 'TagGroup0', 'TagGroup1', etc. keys = tag.keys() # we want to keep this, so remove from the list to loop through if "AnnotationGroupList" in keys: keys.remove("AnnotationGroupList") for k in keys: m_tree = remove_dtb_element( # noqa: PLW2901 m_tree, f"DocumentObjectList.{tg_name}.{k}", ) for tg_name, tag in m_tree.ImageList: # tg_name should be 'TagGroup0', 'TagGroup1', etc. keys = tag.keys() # We want to keep 'ImageTags' and 'Name', so remove from list keys.remove("ImageTags") keys.remove("Name") for k in keys: # k should be in ['ImageData', 'UniqueID'] m_tree = remove_dtb_element( # noqa: PLW2901 m_tree, f"ImageList.{tg_name}.{k}", ) m_list[i] = m_tree.as_dictionary() # Get the instrument object associated with this file instr = get_instr_from_filepath(filename) # get the modification time (as ISO format): mtime = os.path.getmtime(filename) mtime_iso = dt.fromtimestamp( mtime, tz=instr.timezone if instr else None, ).isoformat() # if we found the instrument, then store the name as string, else None instr_name = instr.name if instr is not None else None m_list[i]["nx_meta"] = {} m_list[i]["nx_meta"]["fname"] = str(filename) # set type to Image by default m_list[i]["nx_meta"]["DatasetType"] = "Image" m_list[i]["nx_meta"]["Data Type"] = "TEM_Imaging" m_list[i]["nx_meta"]["Creation Time"] = mtime_iso m_list[i]["nx_meta"]["Data Dimensions"] = str(s[i].data.shape) m_list[i]["nx_meta"]["Instrument ID"] = instr_name m_list[i]["nx_meta"]["warnings"] = [] m_list[i] = parse_dm3_microscope_info(m_list[i]) m_list[i] = parse_dm3_eels_info(m_list[i]) m_list[i] = parse_dm3_eds_info(m_list[i]) m_list[i] = parse_dm3_spectrum_image_info(m_list[i]) # if the instrument name is None, this check will be false, otherwise # look for the instrument in our list of instrument-specific parsers: if instr_name in _instr_specific_parsers: m_list[i] = _instr_specific_parsers[instr_name](m_list[i]) # we don't need to save the filename, it's just for internal processing del m_list[i]["nx_meta"]["fname"] # sort the nx_meta dictionary (recursively) for nicer display m_list[i]["nx_meta"] = sort_dict(m_list[i]["nx_meta"]) # return the first dictionary, which should contain the most information: return remove_dict_nones(m_list[0])
[docs]def parse_643_titan(mdict): """ Add/adjust metadata specific to the 643 FEI Titan. ('`FEI-Titan-STEM-630901 in *********`') Parameters ---------- mdict : dict "raw" metadata dictionary as parsed by :py:func:`get_dm3_metadata` Returns ------- mdict : dict The original metadata dictionary with added information specific to files originating from this microscope with "important" values contained under the ``nx_meta`` key at the root level """ # The 643 Titan will likely have session info defined, but it may not be # accurate, so add it to the warning list for val in ["Detector", "Operator", "Specimen"]: mdict["nx_meta"]["warnings"].append([val]) # the 643Titan sets the Imaging mode to "EFTEM DIFFRACTION" when an # actual diffraction pattern is taken if ( "Imaging Mode" in mdict["nx_meta"] and mdict["nx_meta"]["Imaging Mode"] == "EFTEM DIFFRACTION" ): mdict["nx_meta"]["DatasetType"] = "Diffraction" mdict["nx_meta"]["Data Type"] = "TEM_EFTEM_Diffraction" return mdict
[docs]def parse_642_titan(mdict): """ Add/adjust metadata specific to the 642 FEI Titan. ('`FEI-Titan-TEM-635816 in **********`') Parameters ---------- mdict : dict "raw" metadata dictionary as parsed by :py:func:`get_dm3_metadata` Returns ------- mdict : dict The original metadata dictionary with added information specific to files originating from this microscope with "important" values contained under the ``nx_meta`` key at the root level """ # DONE: complete 642 titan metadata parsing including Tecnai tag path_to_tecnai = get_nested_dict_key(mdict, "Tecnai") if path_to_tecnai is None: # For whatever reason, the expected Tecnai Tag is not present, # so return to prevent errors below return mdict tecnai_value = get_nested_dict_value_by_path(mdict, path_to_tecnai) microscope_info = tecnai_value["Microscope Info"] tecnai_value["Microscope Info"] = process_tecnai_microscope_info(microscope_info) set_nested_dict_value(mdict, path_to_tecnai, tecnai_value) # - Tecnai info: # _ ImageTags.Tecnai.Microscope_Info['Gun_Name'] # _ ImageTags.Tecnai.Microscope_Info['Extractor_Voltage'] # _ ImageTags.Tecnai.Microscope_Info['Gun_Lens_No'] # _ ImageTags.Tecnai.Microscope_Info['Emission_Current'] # _ ImageTags.Tecnai.Microscope_Info['Spot'] # _ ImageTags.Tecnai.Microscope_Info['Mode'] # _ C2, C3, Obj, Dif lens strength: # - ImageTags.Tecnai.Microscope_Info['C2_Strength', 'C3_Strength', # 'Obj_Strength', 'Dif_Strength'] # _ ImageTags.Tecnai.Microscope_Info['Image_Shift_x'/'Image_Shift_y']) # _ ImageTags.Tecnai.Microscope_Info['Stage_Position_x' (y/z/theta/phi)] # _ C1/C2/Objective/SA aperture sizes: # _ ImageTags.Tecnai.Microscope_Info['(C1/C2/Obj/SA)_Aperture'] # _ ImageTags.Tecnai.Microscope_Info['Filter_Settings']['Mode'] # _ ImageTags.Tecnai.Microscope_Info['Filter_Settings']['Dispersion'] # _ ImageTags.Tecnai.Microscope_Info['Filter_Settings']['Aperture'] # _ ImageTags.Tecnai.Microscope_Info['Filter_Settings']['Prism_Shift'] # _ ImageTags.Tecnai.Microscope_Info['Filter_Settings']['Drift_Tube'] # _ ImageTags.Tecnai.Microscope_Info['Filter_Settings'][ # 'Total_Energy_Loss'] term_mapping = { "Gun_Name": "Gun Name", "Extractor_Voltage": "Extractor Voltage (V)", "Camera_Length": "Camera Length (m)", "Gun_Lens_No": "Gun Lens #", "Emission_Current": "Emission Current (μA)", "Spot": "Spot", "Mode": "Tecnai Mode", "Defocus": "Defocus", "C2_Strength": "C2 Lens Strength (%)", "C3_Strength": "C3 Lens Strength (%)", "Obj_Strength": "Objective Lens Strength (%)", "Dif_Strength": "Diffraction Lens Strength (%)", "Microscope_Name": "Tecnai Microscope Name", "User": "Tecnai User", "Image_Shift_x": "Image Shift X (μm)", "Image_Shift_y": "Image Shift Y (μm)", "Stage_Position_x": ["Stage Position", "X (μm)"], "Stage_Position_y": ["Stage Position", "Y (μm)"], "Stage_Position_z": ["Stage Position", "Z (μm)"], "Stage_Position_theta": ["Stage Position", "θ (°)"], "Stage_Position_phi": ["Stage Position", "φ (°)"], "C1_Aperture": "C1 Aperture (μm)", "C2_Aperture": "C2 Aperture (μm)", "Obj_Aperture": "Objective Aperture (μm)", "SA_Aperture": "Selected Area Aperture (μm)", ("Filter_Settings", "Mode"): ["Tecnai Filter", "Mode"], ("Filter_Settings", "Dispersion"): ["Tecnai Filter", "Dispersion (eV/channel)"], ("Filter_Settings", "Aperture"): ["Tecnai Filter", "Aperture (mm)"], ("Filter_Settings", "Prism_Shift"): ["Tecnai Filter", "Prism Shift (eV)"], ("Filter_Settings", "Drift_Tube"): ["Tecnai Filter", "Drift Tube (eV)"], ("Filter_Settings", "Total_Energy_Loss"): [ "Tecnai Filter", "Total Energy Loss (eV)", ], } for in_term, out_term in term_mapping.items(): base = [*list(path_to_tecnai), "Microscope Info"] if isinstance(in_term, str): in_term = [in_term] # noqa: PLW2901 elif isinstance(in_term, tuple): in_term = list(in_term) # noqa: PLW2901 if isinstance(out_term, str): out_term = [out_term] # noqa: PLW2901 val = try_getting_dict_value(mdict, base + in_term) # only add the value to this list if we found it if val != "not found" and val not in ["DO NOT EDIT", "DO NOT ENTER"]: set_nested_dict_value(mdict, ["nx_meta", *out_term], val) path = [*list(path_to_tecnai), "Specimen Info"] val = try_getting_dict_value(mdict, path) if val not in ["not found", "Specimen information is not available yet"]: set_nested_dict_value(mdict, ["nx_meta", "Specimen"], val) # If `Tecnai Mode` is `STEM nP SA Zoom Diffraction`, it's diffraction if ( "Tecnai Mode" in mdict["nx_meta"] and mdict["nx_meta"]["Tecnai Mode"] == "STEM nP SA Zoom Diffraction" ): logger.info( 'Detected file as Diffraction type based on "Tecnai ' 'Mode" == "STEM nP SA Zoom Diffraction"', ) mdict["nx_meta"]["DatasetType"] = "Diffraction" mdict["nx_meta"]["Data Type"] = "STEM_Diffraction" # also, if `Operation Mode` is `DIFFRACTION`, it's diffraction elif ( "Operation Mode" in mdict["nx_meta"] and mdict["nx_meta"]["Operation Mode"] == "DIFFRACTION" ): logger.info( 'Detected file as Diffraction type based on "Operation ' 'Mode" == "DIFFRACTION"', ) mdict["nx_meta"]["DatasetType"] = "Diffraction" mdict["nx_meta"]["Data Type"] = "TEM_Diffraction" return mdict
[docs]def parse_642_jeol(mdict): """ Add/adjust metadata specific to the 642 FEI Titan. ('`JEOL-JEM3010-TEM-565989 in *********`') Parameters ---------- mdict : dict "raw" metadata dictionary as parsed by :py:func:`get_dm3_metadata` Returns ------- mdict : dict The original metadata dictionary with added information specific to files originating from this microscope with "important" values contained under the ``nx_meta`` key at the root level """ # Currently, the Stroboscope does not add any metadata items that need to # be processed differently than the "default" dm3 tags (and it barely has # any metadata anyway), so this method does not need to do anything # To try to detect diffraction pattern, we will check the file name # against commonly used terms for saving diffraction patterns (not even # close to perfect, but at least it's something) for s in ["Diff", "SAED", "DP"]: if ( s.lower() in mdict["nx_meta"]["fname"] or s.upper() in mdict["nx_meta"]["fname"] or s in mdict["nx_meta"]["fname"] ): logger.info( 'Detected file as Diffraction type based on "%s" in the filename', s, ) mdict["nx_meta"]["DatasetType"] = "Diffraction" mdict["nx_meta"]["Data Type"] = "TEM_Diffraction" mdict["nx_meta"]["warnings"].append(["DatasetType"]) mdict["nx_meta"]["warnings"].append(["Data Type"]) return mdict
_instr_specific_parsers = { "FEI-Titan-STEM-630901_n": parse_643_titan, "FEI-Titan-TEM-635816_n": parse_642_titan, "JEOL-JEM3010-TEM-565989_n": parse_642_jeol, }
[docs]def get_pre_path(mdict: Dict) -> List[str]: """ Get the appropriate pre-path in the metadata tag structure for a given signal. Get the path into a dictionary where the important DigitalMicrograph metadata is expected to be found. If the .dm3/.dm4 file contains a stack of images, the important metadata for NexusLIMS is not at its usual place and is instead under a `plan info` tag, so this method will determine if the stack metadata is present and return the correct path. Parameters ---------- mdict : dict A metadata dictionary as returned by :py:meth:`get_dm3_metadata` Returns ------- A list containing the subsequent keys that need to be traversed to get to the point in the `mdict` where the important metadata is stored """ # test if we have a stack stack_val = try_getting_dict_value( mdict, ["ImageList", "TagGroup0", "ImageTags", "plane info"], ) if stack_val != "not found": # we're in a stack pre_path = [ "ImageList", "TagGroup0", "ImageTags", "plane info", "TagGroup0", "source tags", ] else: pre_path = ["ImageList", "TagGroup0", "ImageTags"] return pre_path
[docs]def parse_dm3_microscope_info(mdict): """ Parse the "microscope info" metadata. Parse the "important" metadata that is saved at specific places within the DM3 tag structure into a consistent place in the metadata dictionary returned by :py:meth:`get_dm3_metadata`. Specifically looks at the "Microscope Info", "Session Info", and "Meta Data" nodes (these are not present on every microscope). Parameters ---------- mdict : dict A metadata dictionary as returned by :py:meth:`get_dm3_metadata` Returns ------- mdict : dict The same metadata dictionary with some values added under the root-level ``nx_meta`` key """ if "nx_meta" not in mdict: mdict["nx_meta"] = {} # pragma: no cover pre_path = get_pre_path(mdict) # General "microscope info" .dm3 tags (not present on all instruments): for meta_key in [ "Indicated Magnification", "Actual Magnification", "Cs(mm)", "STEM Camera Length", "Voltage", "Operation Mode", "Specimen", "Microscope", "Operator", "Imaging Mode", "Illumination Mode", "Name", "Field of View (\u00b5m)", "Facility", ["Stage Position", "Stage Alpha"], ["Stage Position", "Stage Beta"], ["Stage Position", "Stage X"], ["Stage Position", "Stage Y"], ["Stage Position", "Stage Z"], ]: base = [*pre_path, "Microscope Info"] meta_key = _coerce_to_list(meta_key) # noqa: PLW2901 val = try_getting_dict_value(mdict, base + meta_key) # only add the value to this list if we found it, and it's not one of # the "facility-wide" set values that do not have any meaning: if ( val != "not found" and val not in ["DO NOT EDIT", "DO NOT ENTER"] and val != [] ): # change output of "Stage Position" to unicode characters if "Stage Position" in meta_key: meta_key[-1] = ( meta_key[-1] .replace("Alpha", "α") # noqa: RUF001 .replace("Beta", "β") .replace("Stage ", "") ) set_nested_dict_value(mdict, ["nx_meta", *meta_key], val) # General "session info" .dm3 tags (sometimes this information is stored # here instead of under "Microscope Info": for meta_key in ["Detector", "Microscope", "Operator", "Specimen"]: base = [*pre_path, "Session Info"] meta_key = _coerce_to_list(meta_key) # noqa: PLW2901 val = try_getting_dict_value(mdict, base + meta_key) # only add the value to this list if we found it, and it's not # one of the "facility-wide" set values that do not have any meaning: if ( val != "not found" and val not in ["DO NOT EDIT", "DO NOT ENTER"] and val != [] ): set_nested_dict_value(mdict, ["nx_meta", *meta_key], val) # General "Meta Data" .dm3 tags for meta_key in [ "Acquisition Mode", "Format", "Signal", # this one is seen sometimes in EDS signals: ["Experiment keywords", "TagGroup1", "Label"], ]: base = [*pre_path, "Meta Data"] meta_key = _coerce_to_list(meta_key) # noqa: PLW2901 val = try_getting_dict_value(mdict, base + meta_key) # only add the value to this list if we found it, and it's not # one of the "facility-wide" set values that do not have any meaning: if ( val != "not found" and val not in ["DO NOT EDIT", "DO NOT ENTER"] and val != [] ): if "Label" in meta_key: set_nested_dict_value(mdict, ["nx_meta"] + ["Analytic Label"], val) else: set_nested_dict_value( mdict, ["nx_meta"] + [f"Analytic {lbl}" for lbl in meta_key], val, ) # acquisition device name: _set_acquisition_device_name(mdict, pre_path) # exposure time: _set_exposure_time(mdict, pre_path) # GMS version: _set_gms_version(mdict, pre_path) # camera binning: _set_camera_binning(mdict, pre_path) # image processing: _set_image_processing(mdict, pre_path) if ( "Illumination Mode" in mdict["nx_meta"] and "STEM" in mdict["nx_meta"]["Illumination Mode"] ): mdict["nx_meta"]["Data Type"] = "STEM_Imaging" return mdict
[docs]def parse_dm3_eels_info(mdict): """ Parse EELS information from the metadata. Parses metadata from the DigitalMicrograph tag structure that concerns any EELS acquisition or spectrometer settings, placing it in an ``EELS`` dictionary underneath the root-level ``nx_meta`` node. Parameters ---------- mdict : dict A metadata dictionary as returned by :py:meth:`get_dm3_metadata` Returns ------- mdict : dict The metadata dict with all the "EELS-specific" metadata added under ``nx_meta`` """ pre_path = get_pre_path(mdict) # EELS .dm3 tags of interest: base = [*pre_path, "EELS"] for meta_key in [ ["Acquisition", "Exposure (s)"], ["Acquisition", "Integration time (s)"], ["Acquisition", "Number of frames"], ["Experimental Conditions", "Collection semi-angle (mrad)"], ["Experimental Conditions", "Convergence semi-angle (mrad)"], ]: _set_eels_meta(mdict, base, meta_key) # different instruments have the spectrometer information in different # places... if mdict["nx_meta"]["Instrument ID"] == "FEI-Titan-TEM-635816_n": base = [*pre_path, "EELS", "Acquisition", "Spectrometer"] elif mdict["nx_meta"]["Instrument ID"] == "FEI-Titan-STEM-630901_n": base = [*pre_path, "EELS Spectrometer"] else: base = None if base is not None: for meta_key in [ "Aperture label", "Dispersion (eV/ch)", "Energy loss (eV)", "Instrument name", "Drift tube enabled", "Drift tube voltage (V)", "Slit inserted", "Slit width (eV)", "Prism offset (V)", "Prism offset enabled ", ]: meta_key = [meta_key] # noqa: PLW2901 _set_eels_spectrometer_meta(mdict, base, meta_key) _set_eels_processing(mdict, pre_path) # Set the dataset type to Spectrum if any EELS tags were added if "EELS" in mdict["nx_meta"]: logger.info("Detected file as Spectrum type based on presence of EELS metadata") mdict["nx_meta"]["DatasetType"] = "Spectrum" if "STEM" in mdict["nx_meta"]["Illumination Mode"]: mdict["nx_meta"]["Data Type"] = "STEM_EELS" else: mdict["nx_meta"]["Data Type"] = "TEM_EELS" return mdict
[docs]def parse_dm3_eds_info(mdict): """ Parse EDS information from the dm3 metadata. Parses metadata from the DigitalMicrograph tag structure that concerns any EDS acquisition or spectrometer settings, placing it in an ``EDS`` dictionary underneath the root-level ``nx_meta`` node. Metadata values that are commonly incorrect or may be placeholders are specified in a list under the ``nx_meta.warnings`` node. Parameters ---------- mdict : dict A metadata dictionary as returned by :py:meth:`get_dm3_metadata` Returns ------- mdict : dict The metadata dictionary with all the "EDS-specific" metadata added as sub-node under the ``nx_meta`` root level dictionary """ pre_path = get_pre_path(mdict) # EELS .dm3 tags of interest: base = [*pre_path, "EDS"] for meta_key in [ ["Acquisition", "Continuous Mode"], ["Acquisition", "Count Rate Unit"], ["Acquisition", "Dispersion (eV)"], ["Acquisition", "Energy Cutoff (V)"], ["Acquisition", "Exposure (s)"], ["Count rate"], ["Detector Info", "Active layer"], ["Detector Info", "Azimuthal angle"], ["Detector Info", "Dead layer"], ["Detector Info", "Detector type"], ["Detector Info", "Elevation angle"], ["Detector Info", "Fano"], ["Detector Info", "Gold layer"], ["Detector Info", "Incidence angle"], ["Detector Info", "Solid angle"], ["Detector Info", "Stage tilt"], ["Detector Info", "Window thickness"], ["Detector Info", "Window type"], ["Detector Info", "Zero fwhm"], ["Live time"], ["Real time"], ]: _set_eds_meta(mdict, base, meta_key) # test to see if the SI attribute is present in the metadata dictionary. # If so, then some relevant EDS values are located there, rather # than in the root-level EDS tag (all the EDS.Acquisition tags from # above) if try_getting_dict_value(mdict, [*pre_path, "SI"]) != "not found": for meta_key in [ ["Acquisition", "Continuous Mode"], ["Acquisition", "Count Rate Unit"], ["Acquisition", "Dispersion (eV)"], ["Acquisition", "Energy Cutoff (V)"], ["Acquisition", "Exposure (s)"], ]: _set_si_meta(mdict, pre_path, meta_key) # for an SI EDS dataset, set "Live time", "Real time" and "Count rate" # to the averages stored in the ImageList.TagGroup0.ImageTags.EDS.Images # values im_dict = try_getting_dict_value(mdict, [*pre_path, "EDS", "Images"]) if isinstance(im_dict, dict): for k, v in im_dict.items(): if k in mdict["nx_meta"]["EDS"]: del mdict["nx_meta"]["EDS"][k] # this should work for 2D (spectrum image) as well as 1D # (linescan) datasets since DM saves this information as a 1D # list regardless of original data shape avg_val = np.array(v).mean() set_nested_dict_value( mdict, ["nx_meta", "EDS"] + [f"{k} (SI Average)"], avg_val, ) # Add the .dm3 EDS values to the warnings list, since they might not be # accurate for meta_key in [ ["Count rate"], ["Detector Info", "Active layer"], ["Detector Info", "Azimuthal angle"], ["Detector Info", "Dead layer"], ["Detector Info", "Detector type"], ["Detector Info", "Elevation angle"], ["Detector Info", "Fano"], ["Detector Info", "Gold layer"], ["Detector Info", "Incidence angle"], ["Detector Info", "Solid angle"], ["Detector Info", "Stage tilt"], ["Detector Info", "Window thickness"], ["Detector Info", "Window type"], ["Detector Info", "Zero fwhm"], ["Live time"], ["Real time"], ]: if try_getting_dict_value(mdict, base + meta_key) != "not found": mdict["nx_meta"]["warnings"].append( ["EDS"] + [meta_key[-1] if len(meta_key) > 1 else meta_key[0]], ) # Set the dataset type to Spectrum if any EDS tags were added if "EDS" in mdict["nx_meta"]: logger.info("Detected file as Spectrum type based on presence of EDS metadata") mdict["nx_meta"]["DatasetType"] = "Spectrum" if "STEM" in mdict["nx_meta"]["Illumination Mode"]: mdict["nx_meta"]["Data Type"] = "STEM_EDS" else: # no known files match this mode, so skip for coverage mdict["nx_meta"]["Data Type"] = "TEM_EDS" # pragma: no cover return mdict
[docs]def parse_dm3_spectrum_image_info(mdict): """ Parse "spectrum image" information from the metadata. Parses metadata that concerns any spectrum imaging information (the "SI" tag) and places it in a "Spectrum Imaging" dictionary underneath the root-level ``nx_meta`` node. Metadata values that are commonly incorrect or may be placeholders are specified in a list under the ``nx_meta.warnings`` node. Parameters ---------- mdict : dict A metadata dictionary as returned by :py:meth:`get_dm3_metadata` Returns ------- mdict : dict The metadata dictionary with all the "EDS-specific" metadata added as sub-node under the ``nx_meta`` root level dictionary """ pre_path = get_pre_path(mdict) # Spectrum imaging .dm3 tags of interest: base = [*pre_path, "SI"] for m_in, m_out in [ (["Acquisition", "Pixel time (s)"], ["Pixel time (s)"]), (["Acquisition", "SI Application Mode", "Name"], ["Scan Mode"]), ( ["Acquisition", "Spatial Sampling", "Height (pixels)"], ["Spatial Sampling (Vertical)"], ), ( ["Acquisition", "Spatial Sampling", "Width (pixels)"], ["Spatial Sampling (Horizontal)"], ), ( ["Acquisition", "Scan Options", "Sub-pixel sampling"], ["Sub-pixel Sampling Factor"], ), ]: val = try_getting_dict_value(mdict, base + m_in) # only add the value to this list if we found it, and it's not # one of the "facility-wide" set values that do not have any meaning: if val != "not found": # add last value of each parameter to the "EDS" sub-tree of nx_meta set_nested_dict_value(mdict, ["nx_meta", "Spectrum Imaging", *m_out], val) # Check spatial drift correction separately: drift_per_val = try_getting_dict_value( mdict, [*base, "Acquisition", "Artefact Correction", "Spatial Drift", "Periodicity"], ) drift_unit_val = try_getting_dict_value( mdict, [*base, "Acquisition", "Artefact Correction", "Spatial Drift", "Units"], ) if drift_per_val != "not found" and drift_unit_val != "not found": val_to_set = f"Spatial drift correction every {drift_per_val} {drift_unit_val}" # make sure statement looks gramatically correct if drift_per_val == 1: val_to_set = val_to_set.replace("(s)", "") else: val_to_set = val_to_set.replace("(s)", "s") # fix for "seconds(s)" (*********...) if val_to_set[-2:] == "ss": val_to_set = val_to_set[:-1] set_nested_dict_value( mdict, ["nx_meta", "Spectrum Imaging", "Artefact Correction"], val_to_set, ) start_val = try_getting_dict_value(mdict, [*base, "Acquisition", "Start time"]) end_val = try_getting_dict_value(mdict, [*base, "Acquisition", "End time"]) if start_val != "not found" and end_val != "not found": start_dt = dt.strptime(start_val, "%I:%M:%S %p") # noqa: DTZ007 end_dt = dt.strptime(end_val, "%I:%M:%S %p") # noqa: DTZ007 duration = (end_dt - start_dt).seconds # Calculate acquisition duration set_nested_dict_value( mdict, ["nx_meta", "Spectrum Imaging", "Acquisition Duration (s)"], duration, ) # Set the dataset type to SpectrumImage if it is already a Spectrum ( otherwise it's # just a STEM image) and any Spectrum Imaging tags were added if ( "Spectrum Imaging" in mdict["nx_meta"] and mdict["nx_meta"]["DatasetType"] == "Spectrum" ): logger.info( "Detected file as SpectrumImage type based on " "presence of spectral metadata and spectrum imaging " "info", ) mdict["nx_meta"]["DatasetType"] = "SpectrumImage" mdict["nx_meta"]["Data Type"] = "Spectrum_Imaging" if "EELS" in mdict["nx_meta"]: mdict["nx_meta"]["Data Type"] = "EELS_Spectrum_Imaging" if "EDS" in mdict["nx_meta"]: mdict["nx_meta"]["Data Type"] = "EDS_Spectrum_Imaging" return mdict
[docs]def process_tecnai_microscope_info( # noqa: PLR0915 microscope_info, delimiter="\u2028", ): """ Process the Microscope_Info metadata string into a dictionary of key-value pairs. This method is only relevant for FEI Titan TEMs that write additional metadata into a unicode-delimited string at a certain place in the DM3 tag structure Parameters ---------- microscope_info : str The string of data obtained from the Tecnai.Microscope_Info leaf of the metadata delimiter : str The value (a unicode string) used to split the ``microscope_info`` string. Returns ------- info_dict : dict The information contained in the string, in a more easily-digestible form. """ info_dict = {} tecnai_info = microscope_info.split(delimiter) info_dict["Microscope_Name"] = _find_val("Microscope ", tecnai_info) # String info_dict["User"] = _find_val("User ", tecnai_info) # String tmp = _find_val("Gun ", tecnai_info) info_dict["Gun_Name"] = tmp[: tmp.index(" Extr volt")] tmp = tmp[tmp.index(info_dict["Gun_Name"]) + len(info_dict["Gun_Name"]) :] # String tmp = tmp.replace("Extr volt ", "") info_dict["Extractor_Voltage"] = int(tmp.split()[0]) # Integer (volts) tmp = tmp[tmp.index("Gun Lens ") + len("Gun Lens ") :] info_dict["Gun_Lens_No"] = int(tmp.split()[0]) # Integer tmp = tmp[tmp.index("Emission ") + len("Emission ") :] info_dict["Emission_Current"] = _try_decimal(tmp.split("uA")[0]) # Decimal (microA) tmp = _find_val("Mode ", tecnai_info) info_dict["Mode"] = tmp[: tmp.index(" Defocus")] # String # 'Mode' should be five terms long, and the last term is either 'Image', # 'Diffraction', (or maybe something else) # Decimal val (micrometer) if "Magn " in tmp: # Imaging mode info_dict["Defocus"] = _try_decimal(tmp.split("Defocus (um) ")[1].split()[0]) elif "CL " in tmp: # Diffraction mode info_dict["Defocus"] = _try_decimal(tmp.split("Defocus ")[1].split()[0]) # This value changes based on whether in image or diffraction mode (mag or CL) # Integer if info_dict["Mode"].split()[4] == "Image": info_dict["Magnification"] = int(tmp.split("Magn ")[1].strip("x")) # Decimal elif info_dict["Mode"].split()[4] == "Diffraction": info_dict["Camera_Length"] = _try_decimal(tmp.split("CL ")[1].strip("m")) # Integer (1 to 5) info_dict["Spot"] = int(_find_val("Spot ", tecnai_info)) # Decimals - Lens strengths expressed as a "%" value info_dict["C2_Strength"] = _try_decimal(_find_val("C2 ", tecnai_info).strip("%")) info_dict["C3_Strength"] = _try_decimal(_find_val("C3 ", tecnai_info).strip("%")) info_dict["Obj_Strength"] = _try_decimal(_find_val("Obj ", tecnai_info).strip("%")) info_dict["Dif_Strength"] = _try_decimal(_find_val("Dif ", tecnai_info).strip("%")) # Decimal values (micrometers) tmp = _find_val("Image shift ", tecnai_info).strip("um") info_dict["Image_Shift_x"] = _try_decimal(tmp.split("/")[0]) info_dict["Image_Shift_y"] = _try_decimal(tmp.split("/")[1]) # Decimal values are given in micrometers and degrees tmp = _find_val("Stage ", tecnai_info).split(",") tmp = [_try_decimal(t.strip(" umdeg")) for t in tmp] info_dict["Stage_Position_x"] = tmp[0] info_dict["Stage_Position_y"] = tmp[1] info_dict["Stage_Position_z"] = tmp[2] info_dict["Stage_Position_theta"] = tmp[3] info_dict["Stage_Position_phi"] = tmp[4] def __read_aperture(val, tecnai_info_): """Test if aperture has value or is retracted.""" try: value = _find_val(val, tecnai_info_).strip(" um") res = int(value) except (ValueError, AttributeError): res = None return res # Either an integer value or None (indicating the aperture was not # inserted or tag did not exist in the metadata) info_dict["C1_Aperture"] = __read_aperture("C1 Aperture: ", tecnai_info) info_dict["C2_Aperture"] = __read_aperture("C2 Aperture: ", tecnai_info) info_dict["Obj_Aperture"] = __read_aperture("OBJ Aperture: ", tecnai_info) info_dict["SA_Aperture"] = __read_aperture("SA Aperture: ", tecnai_info) # Nested dictionary info_dict = _parse_filter_settings(info_dict, tecnai_info) return info_dict