diff --git a/.gitignore b/.gitignore
index b94c060a..bd3214c1 100644
--- a/.gitignore
+++ b/.gitignore
@@ -161,4 +161,4 @@ cython_debug/
 
 
 # MacOS
-.DS_Store
\ No newline at end of file
+.DS_Store
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index ec5d3dfb..6f6252e4 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -19,4 +19,3 @@ repos:
     - id: ruff
       args: [--fix, --exit-non-zero-on-fix]
     - id: ruff-format
-
diff --git a/.vscode/settings.json b/.vscode/settings.json
index d7338ad7..6fbbf1ba 100644
--- a/.vscode/settings.json
+++ b/.vscode/settings.json
@@ -4,4 +4,4 @@
     ],
     "python.testing.unittestEnabled": false,
     "python.testing.pytestEnabled": true,
-}
\ No newline at end of file
+}
diff --git a/docs/conf.py b/docs/conf.py
index 203bf5e3..3a8d8b81 100644
--- a/docs/conf.py
+++ b/docs/conf.py
@@ -4,6 +4,7 @@
 # https://www.sphinx-doc.org/en/master/usage/configuration.html
 import os
 import sys
+
 import versioningit
 
 sys.path.insert(0, os.path.abspath("../src"))
@@ -59,7 +60,9 @@
 # The theme to use for HTML and HTML Help pages.  See the documentation for
 # a list of builtin themes.
 #
-html_theme = "alabaster"  # "sphinx_rtd_theme", please add corresponding package to environment.yml if you want to use it
+html_theme = (
+    "alabaster"  # "sphinx_rtd_theme", please add corresponding package to environment.yml if you want to use it
+)
 autosummary_generate = True
 
 # Napoleon settings
diff --git a/docs/ex_h5py_NXtas.py b/docs/ex_h5py_NXtas.py
index ba0d469f..a73d1a2e 100644
--- a/docs/ex_h5py_NXtas.py
+++ b/docs/ex_h5py_NXtas.py
@@ -1,241 +1,242 @@
- 
-import numpy as np
 import datetime
-import h5py
 import os
- 
-# Note this example script was generated by nxdl_to_hdf5.py using the current 
-# installed version of the NEXUS definitions ver[v2020.10] 
- 
-root = h5py.File('NXtas.h5', 'w')
-
-# Create the GROUPS 
- 
-root.create_group('entry')
-root['/entry'].attrs['NX_class'] = 'NXentry'
-root['/entry'].attrs['EX_required'] = 'true'
- 
-root['/entry/'].create_group('instrument')
-root['/entry/instrument'].attrs['NX_class'] = 'NXinstrument'
-root['/entry/instrument'].attrs['EX_required'] = 'true'
- 
-root['/entry/instrument/'].create_group('source')
-root['/entry/instrument/source'].attrs['NX_class'] = 'NXsource'
-root['/entry/instrument/source'].attrs['EX_required'] = 'true'
- 
-root['/entry/instrument/'].create_group('monochromator')
-root['/entry/instrument/monochromator'].attrs['NX_class'] = 'NXcrystal'
-root['/entry/instrument/monochromator'].attrs['EX_required'] = 'true'
- 
-root['/entry/instrument/'].create_group('analyser')
-root['/entry/instrument/analyser'].attrs['NX_class'] = 'NXcrystal'
-root['/entry/instrument/analyser'].attrs['EX_required'] = 'true'
- 
-root['/entry/instrument/'].create_group('detector')
-root['/entry/instrument/detector'].attrs['NX_class'] = 'NXdetector'
-root['/entry/instrument/detector'].attrs['EX_required'] = 'true'
- 
-root['/entry/'].create_group('sample')
-root['/entry/sample'].attrs['NX_class'] = 'NXsample'
-root['/entry/sample'].attrs['EX_required'] = 'true'
- 
-root['/entry/'].create_group('monitor')
-root['/entry/monitor'].attrs['NX_class'] = 'NXmonitor'
-root['/entry/monitor'].attrs['EX_required'] = 'true'
- 
-root['/entry/'].create_group('data')
-root['/entry/data'].attrs['NX_class'] = 'NXdata'
-root['/entry/data'].attrs['EX_required'] = 'true'
-
-# Create the FIELDS 
- 
-root['/entry'].create_dataset(name='title', data='SAMPLE-CHAR-DATA', maxshape=None)
-root['/entry/title'].attrs['type'] = 'NX_CHAR'
-root['/entry/title'].attrs['EX_required'] = 'true'
- 
-root['/entry'].create_dataset(name='start_time', data='2021-03-29T15:51:43.263179', maxshape=None)
-root['/entry/start_time'].attrs['type'] = 'NX_DATE_TIME'
-root['/entry/start_time'].attrs['EX_required'] = 'true'
- 
-# Valid enumeration values for root['/entry']['definition'] are: 
-#	 NXtas
- 
-root['/entry'].create_dataset(name='definition', data='NXtas', maxshape=None)
-root['/entry/definition'].attrs['type'] = 'NX_CHAR'
-root['/entry/definition'].attrs['EX_required'] = 'true'
- 
-root['/entry/instrument/source'].create_dataset(name='name', data='SAMPLE-CHAR-DATA', maxshape=None)
-root['/entry/instrument/source/name'].attrs['type'] = 'NX_CHAR'
-root['/entry/instrument/source/name'].attrs['EX_required'] = 'true'
- 
-# Valid enumeration values for root['/entry/instrument/source']['probe'] are: 
-#	 neutron
-#	 x-ray
- 
-root['/entry/instrument/source'].create_dataset(name='probe', data='neutron', maxshape=None)
-root['/entry/instrument/source/probe'].attrs['type'] = 'NX_CHAR'
-root['/entry/instrument/source/probe'].attrs['EX_required'] = 'true'
- 
-root['/entry/instrument/monochromator'].create_dataset(name='ei', data=1.0, maxshape=None)
-root['/entry/instrument/monochromator/ei'].attrs['type'] = 'NX_FLOAT'
-root['/entry/instrument/monochromator/ei'].attrs['EX_required'] = 'true'
-root['/entry/instrument/monochromator/ei'].attrs['axis'] = '1'
-root['/entry/instrument/monochromator/ei'].attrs['units'] = 'NX_ENERGY'
- 
-root['/entry/instrument/monochromator'].create_dataset(name='rotation_angle', data=1.0, maxshape=None)
-root['/entry/instrument/monochromator/rotation_angle'].attrs['type'] = 'NX_FLOAT'
-root['/entry/instrument/monochromator/rotation_angle'].attrs['EX_required'] = 'true'
-root['/entry/instrument/monochromator/rotation_angle'].attrs['units'] = 'NX_ANGLE'
- 
-root['/entry/instrument/analyser'].create_dataset(name='ef', data=1.0, maxshape=None)
-root['/entry/instrument/analyser/ef'].attrs['type'] = 'NX_FLOAT'
-root['/entry/instrument/analyser/ef'].attrs['EX_required'] = 'true'
-root['/entry/instrument/analyser/ef'].attrs['axis'] = '1'
-root['/entry/instrument/analyser/ef'].attrs['units'] = 'NX_ENERGY'
- 
-root['/entry/instrument/analyser'].create_dataset(name='rotation_angle', data=1.0, maxshape=None)
-root['/entry/instrument/analyser/rotation_angle'].attrs['type'] = 'NX_FLOAT'
-root['/entry/instrument/analyser/rotation_angle'].attrs['EX_required'] = 'true'
-root['/entry/instrument/analyser/rotation_angle'].attrs['units'] = 'NX_ANGLE'
- 
-root['/entry/instrument/analyser'].create_dataset(name='polar_angle', data=1.0, maxshape=None)
-root['/entry/instrument/analyser/polar_angle'].attrs['type'] = 'NX_FLOAT'
-root['/entry/instrument/analyser/polar_angle'].attrs['EX_required'] = 'true'
-root['/entry/instrument/analyser/polar_angle'].attrs['units'] = 'NX_ANGLE'
- 
-root['/entry/instrument/detector'].create_dataset(name='data', data=1, maxshape=None)
-root['/entry/instrument/detector/data'].attrs['type'] = 'NX_INT'
-root['/entry/instrument/detector/data'].attrs['EX_required'] = 'true'
-root['/entry/instrument/detector/data'].attrs['signal'] = '1'
- 
-root['/entry/instrument/detector'].create_dataset(name='polar_angle', data=1.0, maxshape=None)
-root['/entry/instrument/detector/polar_angle'].attrs['type'] = 'NX_FLOAT'
-root['/entry/instrument/detector/polar_angle'].attrs['EX_required'] = 'true'
-root['/entry/instrument/detector/polar_angle'].attrs['units'] = 'NX_ANGLE'
- 
-root['/entry/sample'].create_dataset(name='name', data='SAMPLE-CHAR-DATA', maxshape=None)
-root['/entry/sample/name'].attrs['type'] = 'NX_CHAR'
-root['/entry/sample/name'].attrs['EX_required'] = 'true'
- 
-root['/entry/sample'].create_dataset(name='qh', data=1.0, maxshape=None)
-root['/entry/sample/qh'].attrs['type'] = 'NX_FLOAT'
-root['/entry/sample/qh'].attrs['EX_required'] = 'true'
-root['/entry/sample/qh'].attrs['axis'] = '1'
-root['/entry/sample/qh'].attrs['units'] = 'NX_DIMENSIONLESS'
- 
-root['/entry/sample'].create_dataset(name='qk', data=1.0, maxshape=None)
-root['/entry/sample/qk'].attrs['type'] = 'NX_FLOAT'
-root['/entry/sample/qk'].attrs['EX_required'] = 'true'
-root['/entry/sample/qk'].attrs['axis'] = '1'
-root['/entry/sample/qk'].attrs['units'] = 'NX_DIMENSIONLESS'
- 
-root['/entry/sample'].create_dataset(name='ql', data=1.0, maxshape=None)
-root['/entry/sample/ql'].attrs['type'] = 'NX_FLOAT'
-root['/entry/sample/ql'].attrs['EX_required'] = 'true'
-root['/entry/sample/ql'].attrs['axis'] = '1'
-root['/entry/sample/ql'].attrs['units'] = 'NX_DIMENSIONLESS'
- 
-root['/entry/sample'].create_dataset(name='en', data=1.0, maxshape=None)
-root['/entry/sample/en'].attrs['type'] = 'NX_FLOAT'
-root['/entry/sample/en'].attrs['EX_required'] = 'true'
-root['/entry/sample/en'].attrs['axis'] = '1'
-root['/entry/sample/en'].attrs['units'] = 'NX_ENERGY'
- 
-root['/entry/sample'].create_dataset(name='rotation_angle', data=1.0, maxshape=None)
-root['/entry/sample/rotation_angle'].attrs['type'] = 'NX_FLOAT'
-root['/entry/sample/rotation_angle'].attrs['EX_required'] = 'true'
-root['/entry/sample/rotation_angle'].attrs['units'] = 'NX_ANGLE'
- 
-root['/entry/sample'].create_dataset(name='polar_angle', data=1.0, maxshape=None)
-root['/entry/sample/polar_angle'].attrs['type'] = 'NX_FLOAT'
-root['/entry/sample/polar_angle'].attrs['EX_required'] = 'true'
-root['/entry/sample/polar_angle'].attrs['units'] = 'NX_ANGLE'
- 
-root['/entry/sample'].create_dataset(name='sgu', data=1.0, maxshape=None)
-root['/entry/sample/sgu'].attrs['type'] = 'NX_FLOAT'
-root['/entry/sample/sgu'].attrs['EX_required'] = 'true'
-root['/entry/sample/sgu'].attrs['units'] = 'NX_ANGLE'
- 
-root['/entry/sample'].create_dataset(name='sgl', data=1.0, maxshape=None)
-root['/entry/sample/sgl'].attrs['type'] = 'NX_FLOAT'
-root['/entry/sample/sgl'].attrs['EX_required'] = 'true'
-root['/entry/sample/sgl'].attrs['units'] = 'NX_ANGLE'
- 
-root['/entry/sample'].create_dataset(name='unit_cell', data=1.0, maxshape=None)
-root['/entry/sample/unit_cell'].attrs['type'] = 'NX_FLOAT'
-root['/entry/sample/unit_cell'].attrs['EX_required'] = 'true'
-root['/entry/sample/unit_cell'].attrs['units'] = 'NX_LENGTH'
- 
-root['/entry/sample'].create_dataset(name='orientation_matrix', data=1.0, maxshape=None)
-root['/entry/sample/orientation_matrix'].attrs['type'] = 'NX_FLOAT'
-root['/entry/sample/orientation_matrix'].attrs['EX_required'] = 'true'
-root['/entry/sample/orientation_matrix'].attrs['units'] = 'NX_DIMENSIONLESS'
- 
-# Valid enumeration values for root['/entry/monitor']['mode'] are: 
-#	 monitor
-#	 timer
- 
-root['/entry/monitor'].create_dataset(name='mode', data='monitor', maxshape=None)
-root['/entry/monitor/mode'].attrs['type'] = 'NX_CHAR'
-root['/entry/monitor/mode'].attrs['EX_required'] = 'true'
- 
-root['/entry/monitor'].create_dataset(name='preset', data=1.0, maxshape=None)
-root['/entry/monitor/preset'].attrs['type'] = 'NX_FLOAT'
-root['/entry/monitor/preset'].attrs['EX_required'] = 'true'
- 
-root['/entry/monitor'].create_dataset(name='data', data=1.0, maxshape=None)
-root['/entry/monitor/data'].attrs['type'] = 'NX_FLOAT'
-root['/entry/monitor/data'].attrs['EX_required'] = 'true'
-root['/entry/monitor/data'].attrs['units'] = 'NX_ANY'
-
-# Create the LINKS 
-root['/entry/data/ei'] = h5py.SoftLink('/entry/instrument/monochromator/ei')
-root['/entry/data/ei/'].attrs['target'] = '/entry/instrument/monochromator/ei'
-
-# Create the LINKS 
-root['/entry/data/ef'] = h5py.SoftLink('/entry/title')
-root['/entry/data/ef/'].attrs['target'] = '/entry/instrument/analyzer/ef'
-
-# Create the LINKS 
-root['/entry/data/en'] = h5py.SoftLink('/entry/sample/en')
-root['/entry/data/en/'].attrs['target'] = '/entry/sample/en'
-
-# Create the LINKS 
-root['/entry/data/qh'] = h5py.SoftLink('/entry/sample/qh')
-root['/entry/data/qh/'].attrs['target'] = '/entry/sample/qh'
-
-# Create the LINKS 
-root['/entry/data/qk'] = h5py.SoftLink('/entry/sample/qk')
-root['/entry/data/qk/'].attrs['target'] = '/entry/sample/qk'
-
-# Create the LINKS 
-root['/entry/data/ql'] = h5py.SoftLink('/entry/sample/ql')
-root['/entry/data/ql/'].attrs['target'] = '/entry/sample/ql'
-
-# Create the LINKS 
-root['/entry/data/data'] = h5py.SoftLink('/entry/instrument/detector/data')
-root['/entry/data/data/'].attrs['target'] = '/entry/instrument/detector/data'
-
-# Create the DOC strings 
-root['/entry/definition'].attrs['EX_doc'] = 'Official NeXus NXDL schema to which this file conforms '
-root['/entry/sample/name'].attrs['EX_doc'] = 'Descriptive name of sample '
-root['/entry/monitor/mode'].attrs['EX_doc'] = 'Count to a preset value based on either clock time (timer) or received monitor counts (monitor). '
-root['/entry/monitor/preset'].attrs['EX_doc'] = 'preset value for time or monitor '
-root['/entry/monitor/data'].attrs['EX_doc'] = 'Total integral monitor counts '
-root['/entry/data'].attrs['EX_doc'] = 'One of the ei,ef,qh,qk,ql,en should get a primary=1 attribute to denote the main scan axis '
- 
-
-# Create the ATTRIBUTES 
-root['/'].attrs['default'] = 'entry'
-root['/entry'].attrs['default'] = 'data'
-root['/entry/data'].attrs['signal'] = 'data'
-root['/entry/data/data'].attrs['signal'] = '1'
-root.attrs['file_name'] = os.path.abspath('NXtas')
-root.attrs['file_time'] = datetime.datetime.now().isoformat()
-root.attrs['h5py_version'] = h5py.version.version
-root.attrs['HDF5_Version'] = h5py.version.hdf5_version
 
-# Close the file
-root.close()
+import h5py
+
+# Note this example script was generated by nxdl_to_hdf5.py using the current
+# installed version of the NEXUS definitions ver[v2020.10]
+
+root = h5py.File("NXtas.h5", "w")
+
+# Create the GROUPS
+
+root.create_group("entry")
+root["/entry"].attrs["NX_class"] = "NXentry"
+root["/entry"].attrs["EX_required"] = "true"
+
+root["/entry/"].create_group("instrument")
+root["/entry/instrument"].attrs["NX_class"] = "NXinstrument"
+root["/entry/instrument"].attrs["EX_required"] = "true"
+
+root["/entry/instrument/"].create_group("source")
+root["/entry/instrument/source"].attrs["NX_class"] = "NXsource"
+root["/entry/instrument/source"].attrs["EX_required"] = "true"
+
+root["/entry/instrument/"].create_group("monochromator")
+root["/entry/instrument/monochromator"].attrs["NX_class"] = "NXcrystal"
+root["/entry/instrument/monochromator"].attrs["EX_required"] = "true"
+
+root["/entry/instrument/"].create_group("analyser")
+root["/entry/instrument/analyser"].attrs["NX_class"] = "NXcrystal"
+root["/entry/instrument/analyser"].attrs["EX_required"] = "true"
+
+root["/entry/instrument/"].create_group("detector")
+root["/entry/instrument/detector"].attrs["NX_class"] = "NXdetector"
+root["/entry/instrument/detector"].attrs["EX_required"] = "true"
+
+root["/entry/"].create_group("sample")
+root["/entry/sample"].attrs["NX_class"] = "NXsample"
+root["/entry/sample"].attrs["EX_required"] = "true"
+
+root["/entry/"].create_group("monitor")
+root["/entry/monitor"].attrs["NX_class"] = "NXmonitor"
+root["/entry/monitor"].attrs["EX_required"] = "true"
+
+root["/entry/"].create_group("data")
+root["/entry/data"].attrs["NX_class"] = "NXdata"
+root["/entry/data"].attrs["EX_required"] = "true"
+
+# Create the FIELDS
+
+root["/entry"].create_dataset(name="title", data="SAMPLE-CHAR-DATA", maxshape=None)
+root["/entry/title"].attrs["type"] = "NX_CHAR"
+root["/entry/title"].attrs["EX_required"] = "true"
+
+root["/entry"].create_dataset(name="start_time", data="2021-03-29T15:51:43.263179", maxshape=None)
+root["/entry/start_time"].attrs["type"] = "NX_DATE_TIME"
+root["/entry/start_time"].attrs["EX_required"] = "true"
+
+# Valid enumeration values for root['/entry']['definition'] are:
+# NXtas
+
+root["/entry"].create_dataset(name="definition", data="NXtas", maxshape=None)
+root["/entry/definition"].attrs["type"] = "NX_CHAR"
+root["/entry/definition"].attrs["EX_required"] = "true"
+
+root["/entry/instrument/source"].create_dataset(name="name", data="SAMPLE-CHAR-DATA", maxshape=None)
+root["/entry/instrument/source/name"].attrs["type"] = "NX_CHAR"
+root["/entry/instrument/source/name"].attrs["EX_required"] = "true"
+
+# Valid enumeration values for root['/entry/instrument/source']['probe'] are:
+# neutron
+# x-ray
+
+root["/entry/instrument/source"].create_dataset(name="probe", data="neutron", maxshape=None)
+root["/entry/instrument/source/probe"].attrs["type"] = "NX_CHAR"
+root["/entry/instrument/source/probe"].attrs["EX_required"] = "true"
+
+root["/entry/instrument/monochromator"].create_dataset(name="ei", data=1.0, maxshape=None)
+root["/entry/instrument/monochromator/ei"].attrs["type"] = "NX_FLOAT"
+root["/entry/instrument/monochromator/ei"].attrs["EX_required"] = "true"
+root["/entry/instrument/monochromator/ei"].attrs["axis"] = "1"
+root["/entry/instrument/monochromator/ei"].attrs["units"] = "NX_ENERGY"
+
+root["/entry/instrument/monochromator"].create_dataset(name="rotation_angle", data=1.0, maxshape=None)
+root["/entry/instrument/monochromator/rotation_angle"].attrs["type"] = "NX_FLOAT"
+root["/entry/instrument/monochromator/rotation_angle"].attrs["EX_required"] = "true"
+root["/entry/instrument/monochromator/rotation_angle"].attrs["units"] = "NX_ANGLE"
+
+root["/entry/instrument/analyser"].create_dataset(name="ef", data=1.0, maxshape=None)
+root["/entry/instrument/analyser/ef"].attrs["type"] = "NX_FLOAT"
+root["/entry/instrument/analyser/ef"].attrs["EX_required"] = "true"
+root["/entry/instrument/analyser/ef"].attrs["axis"] = "1"
+root["/entry/instrument/analyser/ef"].attrs["units"] = "NX_ENERGY"
+
+root["/entry/instrument/analyser"].create_dataset(name="rotation_angle", data=1.0, maxshape=None)
+root["/entry/instrument/analyser/rotation_angle"].attrs["type"] = "NX_FLOAT"
+root["/entry/instrument/analyser/rotation_angle"].attrs["EX_required"] = "true"
+root["/entry/instrument/analyser/rotation_angle"].attrs["units"] = "NX_ANGLE"
+
+root["/entry/instrument/analyser"].create_dataset(name="polar_angle", data=1.0, maxshape=None)
+root["/entry/instrument/analyser/polar_angle"].attrs["type"] = "NX_FLOAT"
+root["/entry/instrument/analyser/polar_angle"].attrs["EX_required"] = "true"
+root["/entry/instrument/analyser/polar_angle"].attrs["units"] = "NX_ANGLE"
 
+root["/entry/instrument/detector"].create_dataset(name="data", data=1, maxshape=None)
+root["/entry/instrument/detector/data"].attrs["type"] = "NX_INT"
+root["/entry/instrument/detector/data"].attrs["EX_required"] = "true"
+root["/entry/instrument/detector/data"].attrs["signal"] = "1"
 
+root["/entry/instrument/detector"].create_dataset(name="polar_angle", data=1.0, maxshape=None)
+root["/entry/instrument/detector/polar_angle"].attrs["type"] = "NX_FLOAT"
+root["/entry/instrument/detector/polar_angle"].attrs["EX_required"] = "true"
+root["/entry/instrument/detector/polar_angle"].attrs["units"] = "NX_ANGLE"
+
+root["/entry/sample"].create_dataset(name="name", data="SAMPLE-CHAR-DATA", maxshape=None)
+root["/entry/sample/name"].attrs["type"] = "NX_CHAR"
+root["/entry/sample/name"].attrs["EX_required"] = "true"
+
+root["/entry/sample"].create_dataset(name="qh", data=1.0, maxshape=None)
+root["/entry/sample/qh"].attrs["type"] = "NX_FLOAT"
+root["/entry/sample/qh"].attrs["EX_required"] = "true"
+root["/entry/sample/qh"].attrs["axis"] = "1"
+root["/entry/sample/qh"].attrs["units"] = "NX_DIMENSIONLESS"
+
+root["/entry/sample"].create_dataset(name="qk", data=1.0, maxshape=None)
+root["/entry/sample/qk"].attrs["type"] = "NX_FLOAT"
+root["/entry/sample/qk"].attrs["EX_required"] = "true"
+root["/entry/sample/qk"].attrs["axis"] = "1"
+root["/entry/sample/qk"].attrs["units"] = "NX_DIMENSIONLESS"
+
+root["/entry/sample"].create_dataset(name="ql", data=1.0, maxshape=None)
+root["/entry/sample/ql"].attrs["type"] = "NX_FLOAT"
+root["/entry/sample/ql"].attrs["EX_required"] = "true"
+root["/entry/sample/ql"].attrs["axis"] = "1"
+root["/entry/sample/ql"].attrs["units"] = "NX_DIMENSIONLESS"
+
+root["/entry/sample"].create_dataset(name="en", data=1.0, maxshape=None)
+root["/entry/sample/en"].attrs["type"] = "NX_FLOAT"
+root["/entry/sample/en"].attrs["EX_required"] = "true"
+root["/entry/sample/en"].attrs["axis"] = "1"
+root["/entry/sample/en"].attrs["units"] = "NX_ENERGY"
+
+root["/entry/sample"].create_dataset(name="rotation_angle", data=1.0, maxshape=None)
+root["/entry/sample/rotation_angle"].attrs["type"] = "NX_FLOAT"
+root["/entry/sample/rotation_angle"].attrs["EX_required"] = "true"
+root["/entry/sample/rotation_angle"].attrs["units"] = "NX_ANGLE"
+
+root["/entry/sample"].create_dataset(name="polar_angle", data=1.0, maxshape=None)
+root["/entry/sample/polar_angle"].attrs["type"] = "NX_FLOAT"
+root["/entry/sample/polar_angle"].attrs["EX_required"] = "true"
+root["/entry/sample/polar_angle"].attrs["units"] = "NX_ANGLE"
+
+root["/entry/sample"].create_dataset(name="sgu", data=1.0, maxshape=None)
+root["/entry/sample/sgu"].attrs["type"] = "NX_FLOAT"
+root["/entry/sample/sgu"].attrs["EX_required"] = "true"
+root["/entry/sample/sgu"].attrs["units"] = "NX_ANGLE"
+
+root["/entry/sample"].create_dataset(name="sgl", data=1.0, maxshape=None)
+root["/entry/sample/sgl"].attrs["type"] = "NX_FLOAT"
+root["/entry/sample/sgl"].attrs["EX_required"] = "true"
+root["/entry/sample/sgl"].attrs["units"] = "NX_ANGLE"
+
+root["/entry/sample"].create_dataset(name="unit_cell", data=1.0, maxshape=None)
+root["/entry/sample/unit_cell"].attrs["type"] = "NX_FLOAT"
+root["/entry/sample/unit_cell"].attrs["EX_required"] = "true"
+root["/entry/sample/unit_cell"].attrs["units"] = "NX_LENGTH"
+
+root["/entry/sample"].create_dataset(name="orientation_matrix", data=1.0, maxshape=None)
+root["/entry/sample/orientation_matrix"].attrs["type"] = "NX_FLOAT"
+root["/entry/sample/orientation_matrix"].attrs["EX_required"] = "true"
+root["/entry/sample/orientation_matrix"].attrs["units"] = "NX_DIMENSIONLESS"
+
+# Valid enumeration values for root['/entry/monitor']['mode'] are:
+# monitor
+# timer
+
+root["/entry/monitor"].create_dataset(name="mode", data="monitor", maxshape=None)
+root["/entry/monitor/mode"].attrs["type"] = "NX_CHAR"
+root["/entry/monitor/mode"].attrs["EX_required"] = "true"
+
+root["/entry/monitor"].create_dataset(name="preset", data=1.0, maxshape=None)
+root["/entry/monitor/preset"].attrs["type"] = "NX_FLOAT"
+root["/entry/monitor/preset"].attrs["EX_required"] = "true"
+
+root["/entry/monitor"].create_dataset(name="data", data=1.0, maxshape=None)
+root["/entry/monitor/data"].attrs["type"] = "NX_FLOAT"
+root["/entry/monitor/data"].attrs["EX_required"] = "true"
+root["/entry/monitor/data"].attrs["units"] = "NX_ANY"
+
+# Create the LINKS
+root["/entry/data/ei"] = h5py.SoftLink("/entry/instrument/monochromator/ei")
+root["/entry/data/ei/"].attrs["target"] = "/entry/instrument/monochromator/ei"
+
+# Create the LINKS
+root["/entry/data/ef"] = h5py.SoftLink("/entry/title")
+root["/entry/data/ef/"].attrs["target"] = "/entry/instrument/analyzer/ef"
+
+# Create the LINKS
+root["/entry/data/en"] = h5py.SoftLink("/entry/sample/en")
+root["/entry/data/en/"].attrs["target"] = "/entry/sample/en"
+
+# Create the LINKS
+root["/entry/data/qh"] = h5py.SoftLink("/entry/sample/qh")
+root["/entry/data/qh/"].attrs["target"] = "/entry/sample/qh"
+
+# Create the LINKS
+root["/entry/data/qk"] = h5py.SoftLink("/entry/sample/qk")
+root["/entry/data/qk/"].attrs["target"] = "/entry/sample/qk"
+
+# Create the LINKS
+root["/entry/data/ql"] = h5py.SoftLink("/entry/sample/ql")
+root["/entry/data/ql/"].attrs["target"] = "/entry/sample/ql"
+
+# Create the LINKS
+root["/entry/data/data"] = h5py.SoftLink("/entry/instrument/detector/data")
+root["/entry/data/data/"].attrs["target"] = "/entry/instrument/detector/data"
+
+# Create the DOC strings
+root["/entry/definition"].attrs["EX_doc"] = "Official NeXus NXDL schema to which this file conforms "
+root["/entry/sample/name"].attrs["EX_doc"] = "Descriptive name of sample "
+root["/entry/monitor/mode"].attrs["EX_doc"] = (
+    "Count to a preset value based on either clock time (timer) or received monitor counts (monitor). "
+)
+root["/entry/monitor/preset"].attrs["EX_doc"] = "preset value for time or monitor "
+root["/entry/monitor/data"].attrs["EX_doc"] = "Total integral monitor counts "
+root["/entry/data"].attrs["EX_doc"] = (
+    "One of the ei,ef,qh,qk,ql,en should get a primary=1 attribute to denote the main scan axis "
+)
+
+
+# Create the ATTRIBUTES
+root["/"].attrs["default"] = "entry"
+root["/entry"].attrs["default"] = "data"
+root["/entry/data"].attrs["signal"] = "data"
+root["/entry/data/data"].attrs["signal"] = "1"
+root.attrs["file_name"] = os.path.abspath("NXtas")
+root.attrs["file_time"] = datetime.datetime.now().isoformat()
+root.attrs["h5py_version"] = h5py.version.version
+root.attrs["HDF5_Version"] = h5py.version.hdf5_version
+
+# Close the file
+root.close()
diff --git a/notebooks/La2Ni7_HB1A_resolution.ipynb b/notebooks/La2Ni7_HB1A_resolution.ipynb
index 2bd6eecd..6af95676 100644
--- a/notebooks/La2Ni7_HB1A_resolution.ipynb
+++ b/notebooks/La2Ni7_HB1A_resolution.ipynb
@@ -27,7 +27,7 @@
     "# load data\n",
     "tavi = TAVI()\n",
     "path_to_spice_folder = \"../test_data/IPTS9879_HB1A_exp978/exp978/\"\n",
-    "tavi.load_spice_data_from_disk(path_to_spice_folder)\n"
+    "tavi.load_spice_data_from_disk(path_to_spice_folder)"
    ]
   },
   {
@@ -82,7 +82,7 @@
     }
    ],
    "source": [
-    "# generate a contour of all scans \n",
+    "# generate a contour of all scans\n",
     "scans = list(range(132, 198 + 1))\n",
     "\n",
     "scan_group = tavi.combine_scans(scans, name=\"La2Ni7_40-40-40-80\")\n",
@@ -114,7 +114,7 @@
     "\n",
     "sample_json_path = \"../test_data/IPTS9879_HB1A_exp978/La2Ni7.json\"\n",
     "sample = Xtal.from_json(sample_json_path)\n",
-    "ub_json=sample.ub_mat\n",
+    "ub_json = sample.ub_mat\n",
     "tas.mount_sample(sample)\n",
     "\n",
     "# check UB calculation\n",
@@ -128,7 +128,7 @@
     "peak2 = Peak(hkl=(1, 1, 0), angles=angles2, ei=ei, ef=ef)\n",
     "\n",
     "tas.calculate_ub_matrix(peaks=(peak1, peak2))\n",
-    "assert np.allclose(tas.sample.ub_mat,ub_json,atol=1e-4)"
+    "assert np.allclose(tas.sample.ub_mat, ub_json, atol=1e-4)"
    ]
   },
   {
@@ -173,8 +173,7 @@
     }
    ],
    "source": [
-    "\n",
-    "projection=((1, 1, 0), (-2, 1, 0),(0, 0, 1))\n",
+    "projection = ((1, 1, 0), (-2, 1, 0), (0, 0, 1))\n",
     "\n",
     "# overplot with resoluytion ellipses\n",
     "\n",
@@ -182,12 +181,12 @@
     "hkl_list.pop(0)\n",
     "\n",
     "rez_list = tas.cooper_nathans(\n",
-    "        hkl_list=hkl_list,\n",
-    "        ei=ei,\n",
-    "        ef=ef,\n",
-    "        projection=projection,\n",
-    "        R0=False,\n",
-    "    )\n",
+    "    hkl_list=hkl_list,\n",
+    "    ei=ei,\n",
+    "    ef=ef,\n",
+    "    projection=projection,\n",
+    "    R0=False,\n",
+    ")\n",
     "\n",
     "contour = Plot2D()\n",
     "contour.add_contour(scan_group_data, cmap=\"turbo\", vmin=0, vmax=5e3)\n",
@@ -199,7 +198,6 @@
     "    contour.add_reso(e_inco, c=\"k\", linestyle=\"dashed\")\n",
     "\n",
     "\n",
-    "\n",
     "fig, ax = plt.subplots()\n",
     "im1 = contour.plot(ax)\n",
     "fig.colorbar(im1)"
@@ -217,20 +215,20 @@
     "\n",
     "\n",
     "def analyze_in_q(hkl, scans, fit_ranges):\n",
-    "    scan1, scan2=scans\n",
-    "    fit_range1,fit_range2=fit_ranges\n",
-    "  \n",
+    "    scan1, scan2 = scans\n",
+    "    fit_range1, fit_range2 = fit_ranges\n",
+    "\n",
     "    # ------------------------- th2th -------------------------\n",
     "\n",
     "    th2th = Scan.from_spice(path_to_spice_folder, scan_num=scan1)\n",
-    "    scan_th2th = th2th.get_data(axes=(\"del_q\",\"detector\"),norm_to=(1, \"mcu\"))\n",
+    "    scan_th2th = th2th.get_data(axes=(\"del_q\", \"detector\"), norm_to=(1, \"mcu\"))\n",
     "    # perform fit\n",
     "    scan_th2th_fit = Fit1D(scan_th2th, fit_range=fit_range1)\n",
     "    scan_th2th_fit.add_signal(model=\"Gaussian\")\n",
     "    scan_th2th_fit.add_background(model=\"Constant\")\n",
     "    pars_th2th = scan_th2th_fit.guess()\n",
     "    pars_th2th[\"b1_c\"].set(min=0)\n",
-    "    result_th2th = scan_th2th_fit.fit(pars_th2th,USE_ERRORBAR=False)\n",
+    "    result_th2th = scan_th2th_fit.fit(pars_th2th, USE_ERRORBAR=False)\n",
     "    # print(scan_th2th_fit.result.fit_report())\n",
     "\n",
     "    rez = tas.cooper_nathans(hkl_list=hkl, ei=ei, ef=ef, R0=False, projection=None)\n",
@@ -238,65 +236,71 @@
     "    p1 = Plot1D()\n",
     "    # data\n",
     "    p1.add_scan(scan_th2th, fmt=\"o\", label=\"#{} ({},{},{}) th2th scan\".format(scan1, *hkl))\n",
-    "    # fits \n",
+    "    # fits\n",
     "    p1.add_fit(\n",
-    "        scan_th2th_fit,x=scan_th2th_fit.x_to_plot(),\n",
-    "        label=f\"FWHM={result_th2th.params[\"s1_fwhm\"].value:.4f}+/-{result_th2th.params[\"s1_fwhm\"].stderr:.4f}\",\n",
+    "        scan_th2th_fit,\n",
+    "        x=scan_th2th_fit.x_to_plot(),\n",
+    "        label=f\"FWHM={result_th2th.params['s1_fwhm'].value:.4f}+/-{result_th2th.params['s1_fwhm'].stderr:.4f}\",\n",
     "    )\n",
-    "    # resolution \n",
+    "    # resolution\n",
     "    x_th2th = scan_th2th_fit.result.params[\"s1_center\"].value\n",
     "    components_th2th = result_th2th.eval_components(result_th2th.params, x=x_th2th)\n",
     "    y_th2th = components_th2th[\"s1_\"] / 2 + components_th2th[\"b1_\"]\n",
     "    p1.add_reso_bar(\n",
-    "        pos=(x_th2th, y_th2th), fwhm=rez.coh_fwhms(axis=0), c=\"C3\", \\\n",
+    "        pos=(x_th2th, y_th2th),\n",
+    "        fwhm=rez.coh_fwhms(axis=0),\n",
+    "        c=\"C3\",\n",
     "        label=f\"Resolution FWHM={rez.coh_fwhms(axis=0):.04f}\",\n",
     "    )\n",
     "\n",
     "    # ------------------------- s1 -------------------------\n",
     "\n",
     "    s1 = Scan.from_spice(path_to_spice_folder, scan_num=scan2)\n",
-    "    scan_s1= s1.get_data(axes=(\"del_q\",\"detector\"),norm_to=(1, \"mcu\"))\n",
+    "    scan_s1 = s1.get_data(axes=(\"del_q\", \"detector\"), norm_to=(1, \"mcu\"))\n",
     "    # perform fit\n",
-    "    scan_s1_fit = Fit1D(scan_s1,fit_range2)\n",
+    "    scan_s1_fit = Fit1D(scan_s1, fit_range2)\n",
     "    scan_s1_fit.add_signal(model=\"Gaussian\")\n",
     "    scan_s1_fit.add_background(model=\"Constant\")\n",
     "    pars_s1 = scan_s1_fit.guess()\n",
-    "    #pars_s1[\"b1_c\"].set(min=0)\n",
+    "    # pars_s1[\"b1_c\"].set(min=0)\n",
     "    result_s1 = scan_s1_fit.fit(pars_s1, USE_ERRORBAR=False)\n",
-    "    #print(scan_s1_fit.result.fit_report())\n",
-    "\n",
+    "    # print(scan_s1_fit.result.fit_report())\n",
     "\n",
     "    p2 = Plot1D()\n",
     "    # data\n",
     "    p2.add_scan(scan_s1, fmt=\"o\", label=\"#{} ({},{},{}) s1 scan\".format(scan2, *hkl))\n",
-    "    # fits \n",
+    "    # fits\n",
     "    p2.add_fit(\n",
-    "        scan_s1_fit,x=scan_s1_fit.x_to_plot(),\n",
-    "        label=f\"FWHM={result_s1.params[\"s1_fwhm\"].value:.4f}+/-{result_s1.params[\"s1_fwhm\"].stderr:.4f}\",\n",
+    "        scan_s1_fit,\n",
+    "        x=scan_s1_fit.x_to_plot(),\n",
+    "        label=f\"FWHM={result_s1.params['s1_fwhm'].value:.4f}+/-{result_s1.params['s1_fwhm'].stderr:.4f}\",\n",
     "    )\n",
     "\n",
-    "    # resolution \n",
+    "    # resolution\n",
     "    x_s1 = result_s1.params[\"s1_center\"].value\n",
     "    components_s1 = result_s1.eval_components(result_s1.params, x=x_s1)\n",
     "    y_s1 = components_s1[\"s1_\"] / 2 + components_s1[\"b1_\"]\n",
     "    p2.add_reso_bar(\n",
-    "        pos=(x_s1, y_s1), fwhm=rez.coh_fwhms(axis=1), c=\"C3\", \\\n",
+    "        pos=(x_s1, y_s1),\n",
+    "        fwhm=rez.coh_fwhms(axis=1),\n",
+    "        c=\"C3\",\n",
     "        label=f\"Resolution FWHM={rez.coh_fwhms(axis=1):.04f}\",\n",
     "    )\n",
-    "    p2.ylim=(-np.max(scan_s1.y)*0.1,np.max(scan_s1.y)*1.3)\n",
+    "    p2.ylim = (-np.max(scan_s1.y) * 0.1, np.max(scan_s1.y) * 1.3)\n",
     "\n",
     "    # make plot\n",
-    "    fig, axes = plt.subplots(ncols=2,sharey=True,figsize=(10,5))\n",
+    "    fig, axes = plt.subplots(ncols=2, sharey=True, figsize=(10, 5))\n",
     "    p1.plot(axes[0])\n",
     "    p2.plot(axes[1])\n",
     "\n",
-    "    return (np.mean(s1.data.get(\"q\")),\n",
-    "            np.mean(s1.data.get(\"s1\")),\n",
-    "            result_th2th,\n",
-    "            result_s1,\n",
-    "            rez.coh_fwhms(axis=0),\n",
-    "            rez.coh_fwhms(axis=1))\n",
-    "\n"
+    "    return (\n",
+    "        np.mean(s1.data.get(\"q\")),\n",
+    "        np.mean(s1.data.get(\"s1\")),\n",
+    "        result_th2th,\n",
+    "        result_s1,\n",
+    "        rez.coh_fwhms(axis=0),\n",
+    "        rez.coh_fwhms(axis=1),\n",
+    "    )"
    ]
   },
   {
@@ -481,16 +485,17 @@
     }
    ],
    "source": [
-    "# bad peaks \n",
+    "# bad peaks\n",
     "# scan_info = (hkl, (th2th scan num, s1, scan num), (fit ranges in del_q))\n",
-    "scan_info=(((0,0,9), (146,147),(None,None)), # double peaks\n",
-    "            ((0,0,11), (150,151),((-0.08,0.07),None)), #triple pekas\n",
-    "            ((0,0,13), (154,155),((-0.1,0.15),None)), # double peaks\n",
-    "            ((1,1,3), (172,173),((-0.13,0.05),None)), # double\n",
-    "            ((1,1,4), (174,175),((-0.13,0.05),None)),# on a powder line\n",
-    "            ((1,1,5), (176,177),((-0.06,0.15),None)),# double\n",
-    "            ((1,1,7), (180,181),((-0.10,0.15),None)), # double peak\n",
-    "           )\n",
+    "scan_info = (\n",
+    "    ((0, 0, 9), (146, 147), (None, None)),  # double peaks\n",
+    "    ((0, 0, 11), (150, 151), ((-0.08, 0.07), None)),  # triple pekas\n",
+    "    ((0, 0, 13), (154, 155), ((-0.1, 0.15), None)),  # double peaks\n",
+    "    ((1, 1, 3), (172, 173), ((-0.13, 0.05), None)),  # double\n",
+    "    ((1, 1, 4), (174, 175), ((-0.13, 0.05), None)),  # on a powder line\n",
+    "    ((1, 1, 5), (176, 177), ((-0.06, 0.15), None)),  # double\n",
+    "    ((1, 1, 7), (180, 181), ((-0.10, 0.15), None)),  # double peak\n",
+    ")\n",
     "\n",
     "for info in scan_info:\n",
     "    hkl, scans, fit_ranges = info\n",
@@ -930,46 +935,47 @@
    ],
    "source": [
     "# scan_info = (hkl, (th2th scan num, s1, scan num), (fit ranges in del_q))\n",
-    "scan_info=(((0,0,2), (132,133),(None,None)),\n",
-    "            ((0,0,3), (134,135),(None,None)),\n",
-    "            ((0,0,4), (136,137),(None,None)),\n",
-    "            ((0,0,5), (138,139),(None,None)),\n",
-    "            ((0,0,6), (140,141),(None,None)),\n",
-    "            ((0,0,7), (142,143),(None,None)),\n",
-    "            ((0,0,8), (144,145),(None,None)),\n",
-    "            # ((0,0,9), (146,147),(None,None)), # double peaks\n",
-    "            ((0,0,10), (148,149),((-0.15,0.09),None)),\n",
-    "            #((0,0,11), (150,151),((-0.08,0.07),None)),\n",
-    "            ((0,0,12), (152,153),(None,None)), # having issues if use errorbar\n",
-    "            #((0,0,13), (154,155),((-0.1,0.15),None)),\n",
-    "            ((0,0,16), (160,161),(None,None)),\n",
-    "            # ((1,1,0), (166,167),(None,None)),# ?????? cannot be fit?????\n",
-    "            ((1,1,1), (168,169),((-0.16,0.12),None)),\n",
-    "            ((1,1,2), (170,171),((-0.16,0.12),None)),\n",
-    "            #((1,1,3), (172,173),((-0.13,0.05),None)),\n",
-    "            #((1,1,4), (174,175),((-0.13,0.05),None)),# on a powder line\n",
-    "            #((1,1,5), (176,177),((-0.06,0.15),None)),\n",
-    "            ((1,1,6), (178,179),((-0.06,0.15),None)),\n",
-    "            # ((1,1,7), (180,181),((-0.10,0.15),None)), # double peak\n",
-    "            ((1,1,8), (182,183),(None,None)),\n",
-    "            ((1,1,10), (186,187),(None,None)),\n",
-    "            ((1,1,12), (190,191),(None,None)),\n",
-    "            ((1,1,14), (194,195),(None,None)),\n",
-    "           )\n",
+    "scan_info = (\n",
+    "    ((0, 0, 2), (132, 133), (None, None)),\n",
+    "    ((0, 0, 3), (134, 135), (None, None)),\n",
+    "    ((0, 0, 4), (136, 137), (None, None)),\n",
+    "    ((0, 0, 5), (138, 139), (None, None)),\n",
+    "    ((0, 0, 6), (140, 141), (None, None)),\n",
+    "    ((0, 0, 7), (142, 143), (None, None)),\n",
+    "    ((0, 0, 8), (144, 145), (None, None)),\n",
+    "    # ((0,0,9), (146,147),(None,None)), # double peaks\n",
+    "    ((0, 0, 10), (148, 149), ((-0.15, 0.09), None)),\n",
+    "    # ((0,0,11), (150,151),((-0.08,0.07),None)),\n",
+    "    ((0, 0, 12), (152, 153), (None, None)),  # having issues if use errorbar\n",
+    "    # ((0,0,13), (154,155),((-0.1,0.15),None)),\n",
+    "    ((0, 0, 16), (160, 161), (None, None)),\n",
+    "    # ((1,1,0), (166,167),(None,None)),# ?????? cannot be fit?????\n",
+    "    ((1, 1, 1), (168, 169), ((-0.16, 0.12), None)),\n",
+    "    ((1, 1, 2), (170, 171), ((-0.16, 0.12), None)),\n",
+    "    # ((1,1,3), (172,173),((-0.13,0.05),None)),\n",
+    "    # ((1,1,4), (174,175),((-0.13,0.05),None)),# on a powder line\n",
+    "    # ((1,1,5), (176,177),((-0.06,0.15),None)),\n",
+    "    ((1, 1, 6), (178, 179), ((-0.06, 0.15), None)),\n",
+    "    # ((1,1,7), (180,181),((-0.10,0.15),None)), # double peak\n",
+    "    ((1, 1, 8), (182, 183), (None, None)),\n",
+    "    ((1, 1, 10), (186, 187), (None, None)),\n",
+    "    ((1, 1, 12), (190, 191), (None, None)),\n",
+    "    ((1, 1, 14), (194, 195), (None, None)),\n",
+    ")\n",
     "\n",
     "\n",
     "# ------------------------ outputs to be collected --------------------\n",
-    "q_list=[]\n",
-    "s1_list=[]\n",
-    "hkl_list=[]\n",
-    "exp_th2th=[]\n",
-    "exp_s1=[]\n",
-    "cn_fwhm_th2th=[]\n",
-    "cn_fwhm_s1=[]\n",
+    "q_list = []\n",
+    "s1_list = []\n",
+    "hkl_list = []\n",
+    "exp_th2th = []\n",
+    "exp_s1 = []\n",
+    "cn_fwhm_th2th = []\n",
+    "cn_fwhm_s1 = []\n",
     "\n",
     "for info in scan_info:\n",
     "    hkl, scans, fit_ranges = info\n",
-    "    q, _,th2th, s1, cn_th2th, cn_s1= analyze_in_q(hkl, scans, fit_ranges)\n",
+    "    q, _, th2th, s1, cn_th2th, cn_s1 = analyze_in_q(hkl, scans, fit_ranges)\n",
     "    # ------------------ collect output ---------------------------\n",
     "    hkl_list.append(hkl)\n",
     "    q_list.append(q)\n",
@@ -1012,16 +1018,26 @@
     }
    ],
    "source": [
-    "fig, ax=plt.subplots()\n",
+    "fig, ax = plt.subplots()\n",
     "ax.set_xlabel(\"Q (A)\")\n",
     "ax.set_ylabel(\"FWHM/Q\")\n",
-    "ax.set_ylim([0,0.07])\n",
-    "ax.errorbar(q_list,np.array([s1.params[\"s1_fwhm\"].value for s1 in exp_s1])/np.array(q_list),\\\n",
-    "            yerr=np.array([s1.params[\"s1_fwhm\"].stderr for s1 in exp_s1])/np.array(q_list), fmt=\"s\",label=\"exp s1\")\n",
-    "ax.errorbar(q_list,np.array([th2th.params[\"s1_fwhm\"].value for th2th in exp_th2th])/np.array(q_list),\\\n",
-    "            yerr=np.array([th2th.params[\"s1_fwhm\"].stderr for th2th in exp_th2th])/np.array(q_list), fmt ='o',label=\"exp th2th\")\n",
-    "ax.plot(q_list,np.array(cn_fwhm_s1)/np.array(q_list),'s', markerfacecolor='none',label=\"CN s1\",c=\"C0\")\n",
-    "ax.plot(q_list,np.array(cn_fwhm_th2th)/np.array(q_list),'o', markerfacecolor='none',label=\"CN th2th\",c=\"C1\")\n",
+    "ax.set_ylim([0, 0.07])\n",
+    "ax.errorbar(\n",
+    "    q_list,\n",
+    "    np.array([s1.params[\"s1_fwhm\"].value for s1 in exp_s1]) / np.array(q_list),\n",
+    "    yerr=np.array([s1.params[\"s1_fwhm\"].stderr for s1 in exp_s1]) / np.array(q_list),\n",
+    "    fmt=\"s\",\n",
+    "    label=\"exp s1\",\n",
+    ")\n",
+    "ax.errorbar(\n",
+    "    q_list,\n",
+    "    np.array([th2th.params[\"s1_fwhm\"].value for th2th in exp_th2th]) / np.array(q_list),\n",
+    "    yerr=np.array([th2th.params[\"s1_fwhm\"].stderr for th2th in exp_th2th]) / np.array(q_list),\n",
+    "    fmt=\"o\",\n",
+    "    label=\"exp th2th\",\n",
+    ")\n",
+    "ax.plot(q_list, np.array(cn_fwhm_s1) / np.array(q_list), \"s\", markerfacecolor=\"none\", label=\"CN s1\", c=\"C0\")\n",
+    "ax.plot(q_list, np.array(cn_fwhm_th2th) / np.array(q_list), \"o\", markerfacecolor=\"none\", label=\"CN th2th\", c=\"C1\")\n",
     "\n",
     "ax.legend()\n",
     "ax.grid(alpha=0.6)"
@@ -1059,32 +1075,36 @@
     }
    ],
    "source": [
-    "fig, ax=plt.subplots()\n",
+    "fig, ax = plt.subplots()\n",
     "ax.set_xlabel(\"Q (A)\")\n",
     "ax.set_ylabel(\"FWHM (A)\")\n",
-    "ax.set_ylim([0,0.1])\n",
-    "ax.set_xlim([0,5])\n",
-    "exp_fwhm_s1=np.array([s1.params[\"s1_fwhm\"].value for s1 in exp_s1])\n",
-    "exp_fwhm_th2th=np.array([th2th.params[\"s1_fwhm\"].value for th2th in exp_th2th])\n",
-    "ax.errorbar(q_list,exp_fwhm_s1,\\\n",
-    "            yerr=np.array([s1.params[\"s1_fwhm\"].stderr for s1 in exp_s1]), fmt=\"s\",label=\"exp s1\")\n",
-    "ax.plot(q_list,cn_fwhm_s1,'s', markerfacecolor='none',label=\"CN s1\",c=\"C0\")\n",
-    "ax.errorbar(q_list,exp_fwhm_th2th,\\\n",
-    "            yerr=np.array([th2th.params[\"s1_fwhm\"].stderr for th2th in exp_th2th]), fmt ='o',label=\"exp th2th\")\n",
-    "ax.plot(q_list,cn_fwhm_th2th,'o', markerfacecolor='none',label=\"CN th2th\",c=\"C1\")\n",
+    "ax.set_ylim([0, 0.1])\n",
+    "ax.set_xlim([0, 5])\n",
+    "exp_fwhm_s1 = np.array([s1.params[\"s1_fwhm\"].value for s1 in exp_s1])\n",
+    "exp_fwhm_th2th = np.array([th2th.params[\"s1_fwhm\"].value for th2th in exp_th2th])\n",
+    "ax.errorbar(q_list, exp_fwhm_s1, yerr=np.array([s1.params[\"s1_fwhm\"].stderr for s1 in exp_s1]), fmt=\"s\", label=\"exp s1\")\n",
+    "ax.plot(q_list, cn_fwhm_s1, \"s\", markerfacecolor=\"none\", label=\"CN s1\", c=\"C0\")\n",
+    "ax.errorbar(\n",
+    "    q_list,\n",
+    "    exp_fwhm_th2th,\n",
+    "    yerr=np.array([th2th.params[\"s1_fwhm\"].stderr for th2th in exp_th2th]),\n",
+    "    fmt=\"o\",\n",
+    "    label=\"exp th2th\",\n",
+    ")\n",
+    "ax.plot(q_list, cn_fwhm_th2th, \"o\", markerfacecolor=\"none\", label=\"CN th2th\", c=\"C1\")\n",
     "for i, hkl in enumerate(hkl_list):\n",
-    "    x=q_list[i]\n",
-    "    y= exp_fwhm_th2th[i]+0.002\n",
+    "    x = q_list[i]\n",
+    "    y = exp_fwhm_th2th[i] + 0.002\n",
     "    # mannual ajdjust position\n",
-    "    if hkl ==(1,1,0):\n",
-    "        x-=0.15\n",
-    "    if hkl ==(1,1,1):\n",
-    "        x-=0.2\n",
-    "        y-=0.012\n",
-    "    if hkl==(1,1,2):\n",
-    "        x+=0.1\n",
-    "        y-=0.012\n",
-    "    ax.annotate(hkl, (x,y),rotation=90,fontsize=8)\n",
+    "    if hkl == (1, 1, 0):\n",
+    "        x -= 0.15\n",
+    "    if hkl == (1, 1, 1):\n",
+    "        x -= 0.2\n",
+    "        y -= 0.012\n",
+    "    if hkl == (1, 1, 2):\n",
+    "        x += 0.1\n",
+    "        y -= 0.012\n",
+    "    ax.annotate(hkl, (x, y), rotation=90, fontsize=8)\n",
     "\n",
     "ax.legend(loc=2)\n",
     "ax.grid(alpha=0.6)\n",
@@ -1124,32 +1144,37 @@
     }
    ],
    "source": [
-    "fig, ax=plt.subplots()\n",
+    "fig, ax = plt.subplots()\n",
     "ax.set_xlabel(\"integ. intent. s1\")\n",
     "ax.set_ylabel(\"integ. intent. th2th\")\n",
     "# ax.set_xlim([-100,2000])\n",
     "# ax.set_ylim([-300,6000])\n",
     "\n",
-    "x_array=np.array([s1.params[\"s1_amplitude\"].value for s1 in exp_s1])\n",
-    "y_array=np.array([th2th.params[\"s1_amplitude\"].value for th2th in exp_th2th])\n",
-    "ax.errorbar(x=x_array,y=y_array,\\\n",
-    "            xerr=np.array([s1.params[\"s1_amplitude\"].stderr for s1 in exp_s1]),\\\n",
-    "            yerr=np.array([th2th.params[\"s1_amplitude\"].stderr for th2th in exp_th2th]), fmt=\"o\",label=\"exp integ. intent. in Q\")\n",
+    "x_array = np.array([s1.params[\"s1_amplitude\"].value for s1 in exp_s1])\n",
+    "y_array = np.array([th2th.params[\"s1_amplitude\"].value for th2th in exp_th2th])\n",
+    "ax.errorbar(\n",
+    "    x=x_array,\n",
+    "    y=y_array,\n",
+    "    xerr=np.array([s1.params[\"s1_amplitude\"].stderr for s1 in exp_s1]),\n",
+    "    yerr=np.array([th2th.params[\"s1_amplitude\"].stderr for th2th in exp_th2th]),\n",
+    "    fmt=\"o\",\n",
+    "    label=\"exp integ. intent. in Q\",\n",
+    ")\n",
     "\n",
     "\n",
-    "slope=2.7\n",
-    "ax.plot([0,6000],[0,6000*slope],'r',label=f\"y = {slope} x\")\n",
+    "slope = 2.7\n",
+    "ax.plot([0, 6000], [0, 6000 * slope], \"r\", label=f\"y = {slope} x\")\n",
     "\n",
     "for i, hkl in enumerate(hkl_list):\n",
-    "    x=x_array[i]\n",
-    "    y= y_array[i]*1.5\n",
+    "    x = x_array[i]\n",
+    "    y = y_array[i] * 1.5\n",
     "    # mannual ajdjust position\n",
     "    # if hkl ==(1,1,0):\n",
     "    #     x-=0.15\n",
-    "    ax.annotate(hkl, (x,y),rotation=90,fontsize=8)\n",
+    "    ax.annotate(hkl, (x, y), rotation=90, fontsize=8)\n",
     "\n",
-    "plt.xscale('log')\n",
-    "plt.yscale('log')\n",
+    "plt.xscale(\"log\")\n",
+    "plt.yscale(\"log\")\n",
     "\n",
     "ax.legend(loc=2)\n",
     "ax.grid(alpha=0.6)\n",
@@ -1163,72 +1188,66 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from tavi.data.fit import Fit1D\n",
-    "from tavi.data.scan import Scan\n",
-    "from tavi.plotter import Plot1D\n",
-    "\n",
-    "\n",
     "def analyze_in_angles(hkl, scans, fit_ranges):\n",
-    "    scan1, scan2=scans\n",
-    "    fit_range1,fit_range2=fit_ranges\n",
-    "  \n",
+    "    scan1, scan2 = scans\n",
+    "    fit_range1, fit_range2 = fit_ranges\n",
+    "\n",
     "    # ------------------------- th2th -------------------------\n",
     "\n",
     "    th2th = Scan.from_spice(path_to_spice_folder, scan_num=scan1)\n",
-    "    scan_th2th = th2th.get_data(axes=(\"s1\",\"detector\"),norm_to=(1, \"mcu\"))\n",
+    "    scan_th2th = th2th.get_data(axes=(\"s1\", \"detector\"), norm_to=(1, \"mcu\"))\n",
     "    # perform fit\n",
     "    scan_th2th_fit = Fit1D(scan_th2th, fit_range=fit_range1)\n",
     "    scan_th2th_fit.add_signal(model=\"Gaussian\")\n",
     "    scan_th2th_fit.add_background(model=\"Constant\")\n",
     "    pars_th2th = scan_th2th_fit.guess()\n",
     "    pars_th2th[\"b1_c\"].set(min=0)\n",
-    "    result_th2th = scan_th2th_fit.fit(pars_th2th,USE_ERRORBAR=False)\n",
+    "    result_th2th = scan_th2th_fit.fit(pars_th2th, USE_ERRORBAR=False)\n",
     "    # print(scan_th2th_fit.result.fit_report())\n",
     "\n",
-    "\n",
     "    p1 = Plot1D()\n",
     "    # data\n",
     "    p1.add_scan(scan_th2th, fmt=\"o\", label=\"#{} ({},{},{}) th2th scan\".format(scan1, *hkl))\n",
-    "    # fits \n",
+    "    # fits\n",
     "    if result_th2th.success:\n",
     "        p1.add_fit(\n",
-    "            scan_th2th_fit,x=scan_th2th_fit.x_to_plot(),\n",
-    "            label=f\"FWHM={result_th2th.params[\"s1_fwhm\"].value:.4f}+/-{result_th2th.params[\"s1_fwhm\"].stderr:.4f}\",\n",
+    "            scan_th2th_fit,\n",
+    "            x=scan_th2th_fit.x_to_plot(),\n",
+    "            label=f\"FWHM={result_th2th.params['s1_fwhm'].value:.4f}+/-{result_th2th.params['s1_fwhm'].stderr:.4f}\",\n",
     "        )\n",
     "\n",
     "    # ------------------------- s1 -------------------------\n",
     "\n",
     "    s1 = Scan.from_spice(path_to_spice_folder, scan_num=scan2)\n",
-    "    scan_s1= s1.get_data(axes=(\"s1\",\"detector\"),norm_to=(1, \"mcu\"))\n",
+    "    scan_s1 = s1.get_data(axes=(\"s1\", \"detector\"), norm_to=(1, \"mcu\"))\n",
     "    # perform fit\n",
-    "    scan_s1_fit = Fit1D(scan_s1,fit_range2)\n",
+    "    scan_s1_fit = Fit1D(scan_s1, fit_range2)\n",
     "    scan_s1_fit.add_signal(model=\"Gaussian\")\n",
     "    scan_s1_fit.add_background(model=\"Constant\")\n",
     "    pars_s1 = scan_s1_fit.guess()\n",
-    "    #pars_s1[\"b1_c\"].set(min=0)\n",
+    "    # pars_s1[\"b1_c\"].set(min=0)\n",
     "    result_s1 = scan_s1_fit.fit(pars_s1, USE_ERRORBAR=False)\n",
-    "    #print(scan_s1_fit.result.fit_report())\n",
-    "\n",
+    "    # print(scan_s1_fit.result.fit_report())\n",
     "\n",
     "    p2 = Plot1D()\n",
     "    # data\n",
     "    p2.add_scan(scan_s1, fmt=\"o\", label=\"#{} ({},{},{}) s1 scan\".format(scan2, *hkl))\n",
-    "    # fits \n",
+    "    # fits\n",
     "    if result_s1.success:\n",
     "        p2.add_fit(\n",
-    "            scan_s1_fit,x=scan_s1_fit.x_to_plot(),\n",
-    "            label=f\"FWHM={result_s1.params[\"s1_fwhm\"].value:.4f}+/-{result_s1.params[\"s1_fwhm\"].stderr:.4f}\",\n",
+    "            scan_s1_fit,\n",
+    "            x=scan_s1_fit.x_to_plot(),\n",
+    "            label=f\"FWHM={result_s1.params['s1_fwhm'].value:.4f}+/-{result_s1.params['s1_fwhm'].stderr:.4f}\",\n",
     "        )\n",
     "\n",
-    "    p2.ylim=(-np.max(scan_s1.y)*0.1,np.max(scan_s1.y)*1.3)\n",
+    "    p2.ylim = (-np.max(scan_s1.y) * 0.1, np.max(scan_s1.y) * 1.3)\n",
     "\n",
     "    # make plot\n",
-    "    fig, axes = plt.subplots(ncols=2,sharey=True,figsize=(10,5))\n",
+    "    fig, axes = plt.subplots(ncols=2, sharey=True, figsize=(10, 5))\n",
     "    p1.plot(axes[0])\n",
     "    p2.plot(axes[1])\n",
     "\n",
-    "    return (result_th2th,\n",
-    "            result_s1)"
+    "    return (result_th2th, result_s1)"
    ]
   },
   {
@@ -1650,48 +1669,48 @@
     }
    ],
    "source": [
-    "scan_info=(((0,0,2), (132,133),(None,None)),\n",
-    "            ((0,0,3), (134,135),(None,None)),\n",
-    "            ((0,0,4), (136,137),(None,None)),\n",
-    "            ((0,0,5), (138,139),(None,None)),\n",
-    "            ((0,0,6), (140,141),(None,None)),\n",
-    "            ((0,0,7), (142,143),(None,None)),\n",
-    "            ((0,0,8), (144,145),(None,None)),\n",
-    "            # ((0,0,9), (146,147),(None,None)), # double peaks\n",
-    "            ((0,0,10), (148,149),((-27.5,-24),None)),\n",
-    "            #((0,0,11), (150,151),((-0.08,0.07),None)),\n",
-    "            ((0,0,12), (152,153),(None,None)), # having issues if use errorbar\n",
-    "            #((0,0,13), (154,155),((-0.1,0.15),None)),\n",
-    "            ((0,0,16), (160,161),(None,None)),\n",
-    "            # ((1,1,0), (166,167),(None,None)),# ?????? cannot be fit?????\n",
-    "            ((1,1,1), (168,169),((57,61),None)),\n",
-    "            ((1,1,2), (170,171),((51,55),None)),\n",
-    "            #((1,1,3), (172,173),((-0.13,0.05),None)),\n",
-    "            #((1,1,4), (174,175),((-0.13,0.05),None)),# on a powder line\n",
-    "            #((1,1,5), (176,177),((-0.06,0.15),None)),\n",
-    "            ((1,1,6), (178,179),(None,None)),\n",
-    "            # ((1,1,7), (180,181),((-0.10,0.15),None)), # double peak\n",
-    "            ((1,1,8), (182,183),(None,None)),\n",
-    "            ((1,1,10), (186,187),(None,None)),\n",
-    "            ((1,1,12), (190,191),(None,None)),\n",
-    "            ((1,1,14), (194,195),(None,None)),\n",
-    "           )\n",
+    "scan_info = (\n",
+    "    ((0, 0, 2), (132, 133), (None, None)),\n",
+    "    ((0, 0, 3), (134, 135), (None, None)),\n",
+    "    ((0, 0, 4), (136, 137), (None, None)),\n",
+    "    ((0, 0, 5), (138, 139), (None, None)),\n",
+    "    ((0, 0, 6), (140, 141), (None, None)),\n",
+    "    ((0, 0, 7), (142, 143), (None, None)),\n",
+    "    ((0, 0, 8), (144, 145), (None, None)),\n",
+    "    # ((0,0,9), (146,147),(None,None)), # double peaks\n",
+    "    ((0, 0, 10), (148, 149), ((-27.5, -24), None)),\n",
+    "    # ((0,0,11), (150,151),((-0.08,0.07),None)),\n",
+    "    ((0, 0, 12), (152, 153), (None, None)),  # having issues if use errorbar\n",
+    "    # ((0,0,13), (154,155),((-0.1,0.15),None)),\n",
+    "    ((0, 0, 16), (160, 161), (None, None)),\n",
+    "    # ((1,1,0), (166,167),(None,None)),# ?????? cannot be fit?????\n",
+    "    ((1, 1, 1), (168, 169), ((57, 61), None)),\n",
+    "    ((1, 1, 2), (170, 171), ((51, 55), None)),\n",
+    "    # ((1,1,3), (172,173),((-0.13,0.05),None)),\n",
+    "    # ((1,1,4), (174,175),((-0.13,0.05),None)),# on a powder line\n",
+    "    # ((1,1,5), (176,177),((-0.06,0.15),None)),\n",
+    "    ((1, 1, 6), (178, 179), (None, None)),\n",
+    "    # ((1,1,7), (180,181),((-0.10,0.15),None)), # double peak\n",
+    "    ((1, 1, 8), (182, 183), (None, None)),\n",
+    "    ((1, 1, 10), (186, 187), (None, None)),\n",
+    "    ((1, 1, 12), (190, 191), (None, None)),\n",
+    "    ((1, 1, 14), (194, 195), (None, None)),\n",
+    ")\n",
     "\n",
     "\n",
     "# ------------------------ outputs to be collected --------------------\n",
-    "hkl_list=[]\n",
-    "exp_th2th=[]\n",
-    "exp_s1=[]\n",
+    "hkl_list = []\n",
+    "exp_th2th = []\n",
+    "exp_s1 = []\n",
     "\n",
     "\n",
     "for info in scan_info:\n",
     "    hkl, scans, fit_ranges = info\n",
-    "    th2th, s1= analyze_in_angles(hkl, scans, fit_ranges)\n",
+    "    th2th, s1 = analyze_in_angles(hkl, scans, fit_ranges)\n",
     "    # ------------------ collect output ---------------------------\n",
     "    hkl_list.append(hkl)\n",
     "    exp_th2th.append(th2th)\n",
-    "    exp_s1.append(s1)\n",
-    "  "
+    "    exp_s1.append(s1)"
    ]
   },
   {
@@ -1726,32 +1745,37 @@
     }
    ],
    "source": [
-    "fig, ax=plt.subplots()\n",
+    "fig, ax = plt.subplots()\n",
     "ax.set_xlabel(\"integ. intent. s1\")\n",
     "ax.set_ylabel(\"integ. intent. th2th\")\n",
     "# ax.set_xlim([-100,2000])\n",
     "# ax.set_ylim([-300,6000])\n",
     "\n",
-    "x_array=np.array([s1.params[\"s1_amplitude\"].value for s1 in exp_s1])\n",
-    "y_array=np.array([th2th.params[\"s1_amplitude\"].value for th2th in exp_th2th])\n",
-    "ax.errorbar(x=x_array,y=y_array,\\\n",
-    "            xerr=np.array([s1.params[\"s1_amplitude\"].stderr for s1 in exp_s1]),\\\n",
-    "            yerr=np.array([th2th.params[\"s1_amplitude\"].stderr for th2th in exp_th2th]), fmt=\"o\",label=\"exp integ. intent. in angles\")\n",
+    "x_array = np.array([s1.params[\"s1_amplitude\"].value for s1 in exp_s1])\n",
+    "y_array = np.array([th2th.params[\"s1_amplitude\"].value for th2th in exp_th2th])\n",
+    "ax.errorbar(\n",
+    "    x=x_array,\n",
+    "    y=y_array,\n",
+    "    xerr=np.array([s1.params[\"s1_amplitude\"].stderr for s1 in exp_s1]),\n",
+    "    yerr=np.array([th2th.params[\"s1_amplitude\"].stderr for th2th in exp_th2th]),\n",
+    "    fmt=\"o\",\n",
+    "    label=\"exp integ. intent. in angles\",\n",
+    ")\n",
     "\n",
     "\n",
-    "slope=2.7\n",
-    "ax.plot([0,1e5],[0,1e5*slope],'r',label=f\"y = {slope} x\")\n",
+    "slope = 2.7\n",
+    "ax.plot([0, 1e5], [0, 1e5 * slope], \"r\", label=f\"y = {slope} x\")\n",
     "\n",
     "for i, hkl in enumerate(hkl_list):\n",
-    "    x=x_array[i]\n",
-    "    y= y_array[i]*1.2\n",
+    "    x = x_array[i]\n",
+    "    y = y_array[i] * 1.2\n",
     "    # mannual ajdjust position\n",
     "    # if hkl ==(1,1,0):\n",
     "    #     x-=0.15\n",
-    "    ax.annotate(hkl, (x,y),rotation=90,fontsize=8)\n",
+    "    ax.annotate(hkl, (x, y), rotation=90, fontsize=8)\n",
     "\n",
-    "plt.xscale('log')\n",
-    "plt.yscale('log')\n",
+    "plt.xscale(\"log\")\n",
+    "plt.yscale(\"log\")\n",
     "\n",
     "ax.legend(loc=2)\n",
     "ax.grid(alpha=0.6)\n",
diff --git a/scripts/HB1A_resolution/FeSn_film_HB1A.py b/scripts/HB1A_resolution/FeSn_film_HB1A.py
index ea777386..8d1041ba 100644
--- a/scripts/HB1A_resolution/FeSn_film_HB1A.py
+++ b/scripts/HB1A_resolution/FeSn_film_HB1A.py
@@ -49,7 +49,7 @@
 p1.add_scan(fesn000p5_lscan, fmt="o")
 p1.add_fit(
     f1_lscan,
-    label=f"FWHM={f1_lscan.result.params["s1_fwhm"].value:.4f}+/-{f1_lscan.result.params["s1_fwhm"].stderr:.4f}",
+    label=f"FWHM={f1_lscan.result.params['s1_fwhm'].value:.4f}+/-{f1_lscan.result.params['s1_fwhm'].stderr:.4f}",
 )
 x = f1_lscan.result.params["s1_center"].value
 components = result.eval_components(result.params, x=x)
@@ -74,7 +74,7 @@
 p1_2.add_scan(fesn000p5_qscan, fmt="o")
 p1_2.add_fit(
     f1_qscan,
-    label=f"FWHM={f1_qscan.result.params["s1_fwhm"].value:.4f}+/-{f1_qscan.result.params["s1_fwhm"].stderr:.4f}",
+    label=f"FWHM={f1_qscan.result.params['s1_fwhm'].value:.4f}+/-{f1_qscan.result.params['s1_fwhm'].stderr:.4f}",
 )
 x = f1_qscan.result.params["s1_center"].value
 components = result.eval_components(result.params, x=x)
@@ -103,7 +103,7 @@
 p2.add_scan(substrate006_lscan, fmt="o")
 p2.add_fit(
     f2_lscan,
-    label=f"FWHM={f2_lscan.result.params["s1_fwhm"].value:.4f}+/-{f2_lscan.result.params["s1_fwhm"].stderr:.4f}",
+    label=f"FWHM={f2_lscan.result.params['s1_fwhm'].value:.4f}+/-{f2_lscan.result.params['s1_fwhm'].stderr:.4f}",
 )
 x = f2_lscan.result.params["s1_center"].value
 components = result.eval_components(result.params, x=x)
@@ -130,7 +130,7 @@
 p2_2.add_scan(substrate006_qscan, fmt="o")
 p2_2.add_fit(
     f2_qscan,
-    label=f"FWHM={f2_qscan.result.params["s1_fwhm"].value:.4f}+/-{f2_qscan.result.params["s1_fwhm"].stderr:.4f}",
+    label=f"FWHM={f2_qscan.result.params['s1_fwhm'].value:.4f}+/-{f2_qscan.result.params['s1_fwhm'].stderr:.4f}",
 )
 x = f2_qscan.result.params["s1_center"].value
 components = result.eval_components(result.params, x=x)
@@ -169,7 +169,7 @@
 p3.add_scan(fesn000p5_lscan_2, fmt="o")
 p3.add_fit(
     f3_lscan,
-    label=f"FWHM={result.params["s1_fwhm"].value:.4f}+/-{result.params["s1_fwhm"].stderr:.4f}",
+    label=f"FWHM={result.params['s1_fwhm'].value:.4f}+/-{result.params['s1_fwhm'].stderr:.4f}",
 )
 x = result.params["s1_center"].value
 components = result.eval_components(result.params, x=x)
diff --git a/scripts/HB1A_resolution/La2Ni7_resolution_in_Q.py b/scripts/HB1A_resolution/La2Ni7_resolution_in_Q.py
index 6a4b0cc5..0605cd7d 100644
--- a/scripts/HB1A_resolution/La2Ni7_resolution_in_Q.py
+++ b/scripts/HB1A_resolution/La2Ni7_resolution_in_Q.py
@@ -36,7 +36,7 @@ def analyze_in_q(hkl, scans, fit_ranges):
     p1.add_fit(
         scan_th2th_fit,
         x=scan_th2th_fit.x_to_plot(),
-        label=f"FWHM={result_th2th.params["s1_fwhm"].value:.4f}+/-{result_th2th.params["s1_fwhm"].stderr:.4f}",
+        label=f"FWHM={result_th2th.params['s1_fwhm'].value:.4f}+/-{result_th2th.params['s1_fwhm'].stderr:.4f}",
     )
     # resolution
     x_th2th = scan_th2th_fit.result.params["s1_center"].value
@@ -69,7 +69,7 @@ def analyze_in_q(hkl, scans, fit_ranges):
     p2.add_fit(
         scan_s1_fit,
         x=scan_s1_fit.x_to_plot(),
-        label=f"FWHM={result_s1.params["s1_fwhm"].value:.4f}+/-{result_s1.params["s1_fwhm"].stderr:.4f}",
+        label=f"FWHM={result_s1.params['s1_fwhm'].value:.4f}+/-{result_s1.params['s1_fwhm'].stderr:.4f}",
     )
 
     # resolution
diff --git a/scripts/HB1A_resolution/rez_HB1A.py b/scripts/HB1A_resolution/rez_HB1A.py
index c221436e..d50d75cc 100644
--- a/scripts/HB1A_resolution/rez_HB1A.py
+++ b/scripts/HB1A_resolution/rez_HB1A.py
@@ -84,7 +84,7 @@
 p4.add_fit(
     hh1_fit,
     x=hh1_fit.x_to_plot(),
-    label=f"FWHM={result.params["s1_fwhm"].value:.5f}+/-{result.params["s1_fwhm"].stderr:.5f}",
+    label=f"FWHM={result.params['s1_fwhm'].value:.5f}+/-{result.params['s1_fwhm'].stderr:.5f}",
 )
 
 x = hh1_fit.result.params["s1_center"].value
@@ -148,7 +148,7 @@
 p5.add_fit(
     hh1_fit_2,
     x=hh1_fit.x_to_plot(),
-    label=f"FWHM={result.params["s1_fwhm"].value:.5f}+/-{result.params["s1_fwhm"].stderr:.5f}",
+    label=f"FWHM={result.params['s1_fwhm'].value:.5f}+/-{result.params['s1_fwhm'].stderr:.5f}",
 )
 
 x = hh1_fit_2.result.params["s1_center"].value
diff --git a/scripts/Sunny_enabler/rez_loader.jl b/scripts/Sunny_enabler/rez_loader.jl
index 32a22531..6463ec72 100644
--- a/scripts/Sunny_enabler/rez_loader.jl
+++ b/scripts/Sunny_enabler/rez_loader.jl
@@ -6,4 +6,4 @@ scan0042 = pdata["scan0042"]
 rez_mat = read(scan0042, "rez_mat")
 
 scan0001 = fid["data"]["IPTS32124_CG4C_exp0424"]["scan0001"]
-read(scan0001["sample"], "unit_cell")
\ No newline at end of file
+read(scan0001["sample"], "unit_cell")
diff --git a/scripts/Sunny_enabler/scans_rez.py b/scripts/Sunny_enabler/scans_rez.py
index 46b9cb6b..91b539c8 100644
--- a/scripts/Sunny_enabler/scans_rez.py
+++ b/scripts/Sunny_enabler/scans_rez.py
@@ -35,7 +35,6 @@
     rez_r0_list = []
 
     for i in range(len(ei_list)):
-
         rez = tas.rez(
             ei=ei_list[i],
             ef=ef_list[i],
diff --git a/src/tavi/configuration.py b/src/tavi/configuration.py
index 828cb5bb..e0de8627 100644
--- a/src/tavi/configuration.py
+++ b/src/tavi/configuration.py
@@ -4,9 +4,9 @@
 
 import os
 import shutil
-
 from configparser import ConfigParser
 from pathlib import Path
+
 from mantid.kernel import Logger
 
 logger = Logger("PACKAGENAME")
diff --git a/src/tavi/data/fit.py b/src/tavi/data/fit.py
index 57b0e3f1..21a86b9d 100644
--- a/src/tavi/data/fit.py
+++ b/src/tavi/data/fit.py
@@ -172,7 +172,6 @@ def eval(self, pars: Parameters, x: np.ndarray) -> np.ndarray:
         return self.model.eval(pars, x=x)
 
     def fit(self, pars: Parameters, USE_ERRORBAR=True) -> ModelResult:
-
         if USE_ERRORBAR:
             result = self.model.fit(self.y, pars, x=self.x, weights=self.err)
         else:
diff --git a/src/tavi/data/nexus_builder.py b/src/tavi/data/nexus_builder.py
index 9010e888..47adfd59 100644
--- a/src/tavi/data/nexus_builder.py
+++ b/src/tavi/data/nexus_builder.py
@@ -251,8 +251,8 @@ def spice_scan_to_nxdict(
         EX_required="true",
     )
     for i in range(8):  # CG4C horizontal focusing
-        nxana.add_dataset(key=f"qm{i+1}", ds=NXdataset(ds=spicelogs.get(f"qm{i+1}"), type="NX_FLOAT"))
-        nxana.add_dataset(key=f"xm{i+1}", ds=NXdataset(ds=spicelogs.get(f"xm{i+1}"), type="NX_FLOAT"))
+        nxana.add_dataset(key=f"qm{i + 1}", ds=NXdataset(ds=spicelogs.get(f"qm{i + 1}"), type="NX_FLOAT"))
+        nxana.add_dataset(key=f"xm{i + 1}", ds=NXdataset(ds=spicelogs.get(f"xm{i + 1}"), type="NX_FLOAT"))
 
     if instrument_config_params is not None:
         if (ana_params := instrument_config_params.get("analyzer")) is not None:
@@ -308,7 +308,6 @@ def spice_scan_to_nxdict(
 
     if instrument_config_params is not None:
         if (coll_params := instrument_config_params.get("collimators")) is not None:
-
             try:
                 div_x = [
                     coll_params["h_pre_mono"],
diff --git a/src/tavi/data/scan.py b/src/tavi/data/scan.py
index aa0f6f7f..a23a48ad 100644
--- a/src/tavi/data/scan.py
+++ b/src/tavi/data/scan.py
@@ -74,7 +74,6 @@ class Scan(object):
     """
 
     def __init__(self, name: str, nexus_dict: NexusEntry) -> None:
-
         self.name: str = name
         self._nexus_dict: NexusEntry = nexus_dict
         self.data: dict = self.get_data_columns()
diff --git a/src/tavi/data/scan_data.py b/src/tavi/data/scan_data.py
index 6eb20b87..66facaeb 100644
--- a/src/tavi/data/scan_data.py
+++ b/src/tavi/data/scan_data.py
@@ -15,7 +15,6 @@ def __init__(
         y: np.ndarray,
         norm: Optional[np.ndarray] = None,
     ) -> None:
-
         # ind = np.argsort(x)
         # self.x = x[ind]
         # self.y = y[ind]
@@ -198,7 +197,6 @@ def rebin_grid(self, rebin_params: tuple):
         counts = np.zeros_like(x)
 
         for i, x0 in enumerate(self.x):
-
             # Return the indices of the maximum values in the specified axis ignoring NaNs.
             idx = np.nanargmax(x_boundary - ZERO > x0)
             if idx > 0:  # ignore first and last bin box
@@ -246,7 +244,6 @@ def rebin_grid_renorm(self, rebin_params: tuple, norm_col: Optional[np.ndarray]
 
 
 class ScanData2D(object):
-
     ZEROS = 1e-6
 
     def __init__(
diff --git a/src/tavi/data/scan_group.py b/src/tavi/data/scan_group.py
index dbb21758..8c2bce9b 100644
--- a/src/tavi/data/scan_group.py
+++ b/src/tavi/data/scan_group.py
@@ -61,7 +61,6 @@ def _get_data_1d(
         norm_to: Optional[tuple[float, str]],
         **rebin_params_dict: Optional[tuple],
     ) -> ScanData1D:
-
         x_axis, y_axis = axes
         x_array = np.array([])
         y_array = np.array([])
diff --git a/src/tavi/instrument/instrument_params/cg4c.json b/src/tavi/instrument/instrument_params/cg4c.json
index ffe46d84..9ce15585 100644
--- a/src/tavi/instrument/instrument_params/cg4c.json
+++ b/src/tavi/instrument/instrument_params/cg4c.json
@@ -70,4 +70,4 @@
         "v_post_sample": 600,
         "v_post_ana": 600
     }
-}
\ No newline at end of file
+}
diff --git a/src/tavi/instrument/instrument_params/hb1a.json b/src/tavi/instrument/instrument_params/hb1a.json
index c7c5a4f8..7dc5d8db 100644
--- a/src/tavi/instrument/instrument_params/hb1a.json
+++ b/src/tavi/instrument/instrument_params/hb1a.json
@@ -69,4 +69,4 @@
         "v_post_sample": 600,
         "v_post_ana": 600
     }
-}
\ No newline at end of file
+}
diff --git a/src/tavi/instrument/instrument_params/hb3.json b/src/tavi/instrument/instrument_params/hb3.json
index bf665f64..739e2ba8 100644
--- a/src/tavi/instrument/instrument_params/hb3.json
+++ b/src/tavi/instrument/instrument_params/hb3.json
@@ -73,4 +73,4 @@
         "v_post_sample": 300,
         "v_post_ana": 600
     }
-}
\ No newline at end of file
+}
diff --git a/src/tavi/instrument/instrument_params/hb3_mnte.json b/src/tavi/instrument/instrument_params/hb3_mnte.json
index 1f99950d..57f64450 100644
--- a/src/tavi/instrument/instrument_params/hb3_mnte.json
+++ b/src/tavi/instrument/instrument_params/hb3_mnte.json
@@ -73,4 +73,4 @@
         "v_post_sample": 120,
         "v_post_ana": 120
     }
-}
\ No newline at end of file
+}
diff --git a/src/tavi/instrument/instrument_params/takin_test.json b/src/tavi/instrument/instrument_params/takin_test.json
index 9af60ea2..5056e5b9 100644
--- a/src/tavi/instrument/instrument_params/takin_test.json
+++ b/src/tavi/instrument/instrument_params/takin_test.json
@@ -72,4 +72,4 @@
         "v_post_sample": 30,
         "v_post_ana": 30
     }
-}
\ No newline at end of file
+}
diff --git a/src/tavi/instrument/resolution/cooper_nathans.py b/src/tavi/instrument/resolution/cooper_nathans.py
index 74eab3ff..3321d471 100755
--- a/src/tavi/instrument/resolution/cooper_nathans.py
+++ b/src/tavi/instrument/resolution/cooper_nathans.py
@@ -198,7 +198,6 @@ def rez(
 
         rez_list = []
         for hkl, ei, ef in hkle_list:
-
             # q_lab = conv_mat @ hkl
             # q_mod = np.linalg.norm(q_lab)
             q_mod = np.linalg.norm(self.sample.b_mat @ hkl) * 2 * np.pi
@@ -212,7 +211,7 @@ def rez(
                 two_theta = get_angle_from_triangle(ki, kf, q_mod) * self.goniometer._sense
             except TypeError:
                 rez.STATUS = False
-                print(f"Cannot close triangle for ei={ei}, ef={ef}, hkl={np.round(hkl,3)}.")
+                print(f"Cannot close triangle for ei={ei}, ef={ef}, hkl={np.round(hkl, 3)}.")
 
                 rez._set_labels()
                 rez_list.append(rez)
diff --git a/src/tavi/instrument/resolution/ellipsoid.py b/src/tavi/instrument/resolution/ellipsoid.py
index e6b1281f..61243098 100755
--- a/src/tavi/instrument/resolution/ellipsoid.py
+++ b/src/tavi/instrument/resolution/ellipsoid.py
@@ -39,7 +39,6 @@ def __init__(
         sample: Xtal,
         projection: Optional[tuple] = ((1, 0, 0), (0, 1, 0), (0, 0, 1)),
     ) -> None:
-
         self.STATUS: bool
         self.q: tuple[float, float, float]
 
@@ -278,7 +277,6 @@ def plot_ellipses(self):
         fig = plt.figure(figsize=(10, 6))
 
         for i, indices in enumerate([(0, 3), (1, 3), (2, 3), (0, 1), (1, 2), (0, 2)]):
-
             ellipse_co = self.get_ellipse(axes=indices, PROJECTION=False)
             ellipse_inco = self.get_ellipse(axes=indices, PROJECTION=True)
 
@@ -292,7 +290,7 @@ def plot_ellipses(self):
                 p.add_reso(ellipse_inco, c="k", linestyle="dashed")
 
             ax = fig.add_subplot(
-                int(f"23{i+1}"),
+                int(f"23{i + 1}"),
                 axes_class=Axes,
                 grid_helper=p.grid_helper(ellipse_co.angle),
             )
diff --git a/src/tavi/instrument/tas.py b/src/tavi/instrument/tas.py
index 232fab78..ca2fa477 100644
--- a/src/tavi/instrument/tas.py
+++ b/src/tavi/instrument/tas.py
@@ -73,7 +73,7 @@ def get_two_theta(
         q_norm = np.sqrt(q_sq)
         two_theta_radian = get_angle_from_triangle(ki, kf, q_norm)
         if two_theta_radian is None:
-            print(f"Triangle cannot be closed at q=({qh}, {qk}, {ql}), en={ei-ef} meV.")
+            print(f"Triangle cannot be closed at q=({qh}, {qk}, {ql}), en={ei - ef} meV.")
             return None
         # elif np.rad2deg(two_theta_radian) < S2_MIN_DEG:
         # pass
@@ -86,7 +86,7 @@ def calculate_ub_matrix(self, peaks: tuple[Peak, ...]):
         if not isinstance(self.sample, Xtal):
             raise ValueError("sample needs to be Xtal class for UB calculation.")
 
-        match (num_of_peaks := len(peaks)):
+        match num_of_peaks := len(peaks):
             case 2:
                 ubconf = self._find_u_from_two_peaks(peaks)
                 self.sample.set_orientation(ubconf)
@@ -261,7 +261,7 @@ def calculate_motor_angles(self, peak: tuple, ei: float, ef: Optional[float] = N
         two_theta = get_angle_from_triangle(ki, kf, q_norm)
 
         if two_theta is None:
-            print(f"Triangle cannot be closed at q={hkl}, en={ei-ef} meV.")
+            print(f"Triangle cannot be closed at q={hkl}, en={ei - ef} meV.")
             return None
         if np.rad2deg(two_theta) < S2_MIN_DEG:
             print(f"s2 is smaller than {S2_MIN_DEG} deg at q={hkl}.")
diff --git a/src/tavi/plotter.py b/src/tavi/plotter.py
index eaedbeab..c1c066d9 100644
--- a/src/tavi/plotter.py
+++ b/src/tavi/plotter.py
@@ -12,18 +12,14 @@
 
 
 class FitData1D(object):
-
     def __init__(self, x: np.ndarray, y: np.ndarray) -> None:
-
         self.x = x
         self.y = y
         self.fmt: dict = {}
 
 
 class ResoBar(object):
-
     def __init__(self, pos: tuple[float, float], fwhm: float) -> None:
-
         self.pos = pos
         self.fwhm = fwhm
         self.fmt: dict = {}
@@ -167,7 +163,6 @@ def plot(self, ax):
 
 
 class Plot2D(object):
-
     def __init__(self) -> None:
         # self.ax = None
         self.contour_data: list[ScanData2D] = []
@@ -186,19 +181,16 @@ def __init__(self) -> None:
         self.LOG_Z = False
 
     def add_contour(self, contour_data: ScanData2D, **kwargs):
-
         for key, val in kwargs.items():
             contour_data.fmt.update({key: val})
         self.contour_data.append(contour_data)
 
     def add_curve(self, curve_data: ScanData1D, **kwargs):
-
         for key, val in kwargs.items():
             curve_data.fmt.update({key: val})
         self.curve_data.append(curve_data)
 
     def add_reso(self, reso_data: ResoEllipse, **kwargs):
-
         if reso_data is not None:
             for key, val in kwargs.items():
                 reso_data.fmt.update({key: val})
diff --git a/tests/test_fit.py b/tests/test_fit.py
index ba0b8200..a79a98a1 100644
--- a/tests/test_fit.py
+++ b/tests/test_fit.py
@@ -20,7 +20,6 @@ def fit_data():
 
 
 def test_fit_single_peak_external_model(fit_data):
-
     s1_scan, PLOT = fit_data
 
     f1 = Fit1D(s1_scan, fit_range=(0.5, 4.0))
@@ -86,7 +85,6 @@ def test_guess_initial(fit_data):
 
 
 def test_fit_single_peak_internal_model(fit_data):
-
     s1_scan, PLOT = fit_data
     f1 = Fit1D(s1_scan, fit_range=(0.5, 4.0))
 
@@ -109,7 +107,6 @@ def test_fit_single_peak_internal_model(fit_data):
 
 
 def test_fit_two_peak(fit_data):
-
     s1_scan, PLOT = fit_data
 
     f1 = Fit1D(s1_scan, fit_range=(0.0, 4.0), name="scan42_fit2peaks")
diff --git a/tests/test_nexus_entry.py b/tests/test_nexus_entry.py
index 664bd511..6d20e7a3 100644
--- a/tests/test_nexus_entry.py
+++ b/tests/test_nexus_entry.py
@@ -144,7 +144,6 @@ def test_get_from_daslogs():
 
 
 def test_spice_to_nexus_one():
-
     path_to_spice_folder = "./test_data/exp424"
     path_to_nexus = "./test_data/spice_to_nxdict_test_scan0034.h5"
     scan0034 = NexusEntry.from_spice(path_to_spice_folder, 34)
@@ -157,7 +156,6 @@ def test_spice_to_nexus_one():
 
 
 def test_spice_to_nexus_empty():
-
     path_to_spice_folder = "./test_data/exp815"
     path_to_nexus = "./test_data/spice_to_nxdict_test_empty.h5"
     scan0002 = NexusEntry.from_spice(path_to_spice_folder, 2)
@@ -191,7 +189,6 @@ def test_get_dataset_names():
 
 @pytest.fixture
 def nexus_entries():
-
     analyser = {
         "attrs": {"EX_required": "true", "NX_class": "NXcrystal", "type": "NX_CHAR"},
         "a1": {
diff --git a/tests/test_plotter.py b/tests/test_plotter.py
index 24ac2dfd..9a4cb9c5 100644
--- a/tests/test_plotter.py
+++ b/tests/test_plotter.py
@@ -11,7 +11,6 @@
 
 
 def test_plot2d():
-
     # load data
     tavi = TAVI("./test_data/tavi_exp424.h5")
     scan_list = list(range(42, 49, 1)) + list(range(70, 76, 1))
diff --git a/tests/test_scan.py b/tests/test_scan.py
index 4e49a93a..1e5aac90 100644
--- a/tests/test_scan.py
+++ b/tests/test_scan.py
@@ -53,7 +53,6 @@ def test_scan_from_nexus():
 
 
 def test_get_scan_data():
-
     path_to_spice_folder = "./test_data/exp424"
     scan = Scan.from_spice(path_to_spice_folder, scan_num=42)
 
diff --git a/tests/test_tavi_data.py b/tests/test_tavi_data.py
index 5b017fab..9b6177ae 100644
--- a/tests/test_tavi_data.py
+++ b/tests/test_tavi_data.py
@@ -79,7 +79,6 @@ def tavi_exp0424():
 
 
 def test_get_scan(tavi_exp0424):
-
     scan0034 = tavi_exp0424.get_scan(scan_num=("IPTS32124_CG4C_exp0424", 34))
     assert scan0034.name == "scan0034"
     assert scan0034.scan_info.scan_num == 34