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Handle specifically the case of HPLC like datasets
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src/freesas/app/extract_ascii.py

Lines changed: 6 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -27,7 +27,7 @@
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__author__ = "Jérôme Kieffer"
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__license__ = "MIT"
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__copyright__ = "2020, ESRF"
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__date__ = "15/01/2021"
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__date__ = "05/12/2024"
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import io
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import os
@@ -89,7 +89,10 @@ def extract_averaged(filename):
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with Nexus(filename, "r") as nxsr:
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entry_grp = nxsr.get_entries()[0]
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results["h5path"] = entry_grp.name
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nxdata_grp = nxsr.h5[entry_grp.attrs["default"]]
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default = entry_grp.attrs["default"]
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if posixpath.split(default)[-1] == "hplc":
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default = posixpath.join(posixpath.split(default)[0],"result")
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nxdata_grp = nxsr.h5[default]
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signal = nxdata_grp.attrs["signal"]
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axis = nxdata_grp.attrs["axes"]
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results["I"] = nxdata_grp[signal][()]
@@ -119,9 +122,7 @@ def extract_averaged(filename):
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results["exposure temperature"] = sample_grp["temperature"][()]
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results["concentration"] = sample_grp["concentration"][()]
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if "2_correlation_mapping" in entry_grp:
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results["to_merge"] = entry_grp[
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"2_correlation_mapping/results/to_merge"
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][()]
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results["to_merge"] = entry_grp["2_correlation_mapping/results/to_merge"][()]
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return results
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