diff --git a/.gitattributes b/.gitattributes
new file mode 100644
index 00000000..887a2c18
--- /dev/null
+++ b/.gitattributes
@@ -0,0 +1,2 @@
+# SCM syntax highlighting & preventing 3-way merges
+pixi.lock merge=binary linguist-language=YAML linguist-generated=true
diff --git a/docs/api/lr_reduction.rst b/docs/api/lr_reduction.rst
index 68e3fd7f..77c36dca 100644
--- a/docs/api/lr_reduction.rst
+++ b/docs/api/lr_reduction.rst
@@ -87,10 +87,10 @@ lr_reduction.time_resolved
    :undoc-members:
    :show-inheritance:
 
-lr_reduction.typing
+lr_reduction.types
 -------------------
 
-.. automodule:: lr_reduction.typing
+.. automodule:: lr_reduction.types
    :members:
    :undoc-members:
    :show-inheritance:
diff --git a/pixi.lock b/pixi.lock
index 413bb5d5..91db16a4 100644
--- a/pixi.lock
+++ b/pixi.lock
@@ -8,6 +8,8 @@ environments:
     - url: https://prefix.dev/pixi-build-backends/
     indexes:
     - https://pypi.org/simple
+    options:
+      pypi-prerelease-mode: if-necessary-or-explicit
     packages:
       linux-64:
       - conda: https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2
@@ -20,13 +22,21 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/noarch/anyio-4.12.0-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/archspec-0.2.5-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/argcomplete-3.6.3-pyhd8ed1ab_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/argon2-cffi-25.1.0-pyhd8ed1ab_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/argon2-cffi-bindings-25.1.0-py311h49ec1c0_2.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/arrow-1.4.0-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/asteval-1.0.8-pyhd8ed1ab_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/asttokens-3.0.1-pyhd8ed1ab_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/async-lru-2.1.0-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/attr-2.5.2-h39aace5_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/attrs-25.4.0-pyhcf101f3_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/babel-2.17.0-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/backports-1.0-pyhd8ed1ab_5.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/backports.tarfile-1.2.0-pyhcf101f3_2.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/backports.zstd-1.3.0-py311h6b1f9c4_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/beautifulsoup4-4.14.3-pyha770c72_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/bleach-6.3.0-pyhcf101f3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/bleach-with-css-6.3.0-h5f6438b_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/boltons-25.0.0-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-1.2.0-hed03a55_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-bin-1.2.0-hb03c661_1.conda
@@ -44,6 +54,7 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/noarch/click-8.3.1-pyh8f84b5b_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/codecov-2.1.13-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/colorama-0.4.6-pyhd8ed1ab_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/comm-0.2.3-pyhe01879c_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/conda-25.11.1-py311h38be061_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/conda-libmamba-solver-25.11.0-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/conda-package-handling-2.4.0-pyh7900ff3_2.conda
@@ -52,10 +63,13 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/linux-64/contourpy-1.3.3-py311hdf67eae_3.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/coverage-7.13.1-py311h3778330_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/cpp-expected-1.3.1-h171cf75_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/cpython-3.11.14-py311hd8ed1ab_3.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/cryptography-46.0.3-py311h2005dd1_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/cycler-0.12.1-pyhcf101f3_2.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/cyrus-sasl-2.1.28-hd9c7081_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/dbus-1.16.2-h24cb091_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/debugpy-1.8.18-py311hc665b79_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/decorator-5.2.1-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/defusedxml-0.7.1-pyhd8ed1ab_0.tar.bz2
       - conda: https://conda.anaconda.org/conda-forge/noarch/dill-0.4.0-pyhcf101f3_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/distlib-0.4.0-pyhd8ed1ab_0.conda
@@ -65,6 +79,7 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/noarch/editables-0.5-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/euphonic-1.4.5-py311h0372a8f_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/exceptiongroup-1.3.1-pyhd8ed1ab_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/executing-2.2.1-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/filelock-3.20.2-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/flexcache-0.3-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/flexparser-0.4-pyhd8ed1ab_1.conda
@@ -77,6 +92,7 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-ecosystem-1-0.tar.bz2
       - conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-forge-1-hc364b38_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/fonttools-4.61.1-py311h3778330_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/fqdn-1.5.1-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/freeglut-3.2.2-ha6d2627_3.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/freeimage-3.18.0-h49ef1fa_24.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/freetype-2.14.1-ha770c72_0.conda
@@ -84,6 +100,8 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/noarch/future-1.0.0-pyhd8ed1ab_2.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/glib-2.86.3-h5192d8d_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/glib-tools-2.86.3-hf516916_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/gmp-6.3.0-hac33072_2.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/gmpy2-2.2.1-py311h92a432a_2.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/graphite2-1.3.14-hecca717_2.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/gsl-2.8-hbf7d49c_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/gst-plugins-base-1.24.11-h651a532_0.conda
@@ -110,26 +128,46 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/noarch/importlib-resources-6.5.2-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/importlib_resources-6.5.2-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/iniconfig-2.3.0-pyhd8ed1ab_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/ipykernel-7.1.0-pyha191276_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/ipython-9.9.0-pyh53cf698_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/ipython_pygments_lexers-1.1.1-pyhd8ed1ab_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/ipywidgets-8.1.8-pyhd8ed1ab_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/isoduration-20.11.0-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jaraco.classes-3.4.0-pyhcf101f3_3.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jaraco.context-6.0.2-pyhcf101f3_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jaraco.functools-4.4.0-pyhcf101f3_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/jasper-4.2.8-he3c4edf_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jedi-0.19.2-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jeepney-0.9.0-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/jemalloc-5.2.0-he1b5a44_0.tar.bz2
       - conda: https://conda.anaconda.org/conda-forge/noarch/jinja2-3.1.6-pyhcf101f3_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/joblib-1.5.3-pyhd8ed1ab_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/json5-0.13.0-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/jsoncpp-1.9.6-hf42df4d_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jsonpatch-1.33-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jsonpointer-3.0.0-pyhcf101f3_3.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-4.25.1-pyhe01879c_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-specifications-2025.9.1-pyhcf101f3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-with-format-nongpl-4.25.1-he01879c_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter-1.1.1-pyhd8ed1ab_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter-lsp-2.3.0-pyhcf101f3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_client-8.8.0-pyhcf101f3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_console-6.6.3-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_core-5.9.1-pyhc90fa1f_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_events-0.12.0-pyh29332c3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server-2.17.0-pyhcf101f3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server_terminals-0.5.4-pyhcf101f3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab-4.5.3-pyhd8ed1ab_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_pygments-0.3.0-pyhd8ed1ab_2.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_server-2.28.0-pyhcf101f3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_widgets-3.0.16-pyhcf101f3_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/jxrlib-1.1-hd590300_3.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/keyring-25.7.0-pyha804496_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/keyutils-1.6.3-hb9d3cd8_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/kiwisolver-1.4.9-py311h724c32c_2.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/krb5-1.21.3-h659f571_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/lame-3.100-h166bdaf_1003.tar.bz2
+      - conda: https://conda.anaconda.org/conda-forge/noarch/lark-1.3.1-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/lcms2-2.17-h717163a_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.45-default_hbd61a6d_105.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/lerc-4.0.0-h0aef613_1.conda
@@ -189,6 +227,7 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libraw-0.21.4-h9969a89_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/librdkafka-2.11.1-hdd48ec7_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libsndfile-1.2.2-hc7d488a_2.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/libsodium-1.0.20-h4ab18f5_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libsolv-0.7.35-h9463b59_0.conda
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       - conda: https://conda.anaconda.org/conda-forge/linux-64/libssh2-1.11.1-hcf80075_0.conda
@@ -215,21 +254,31 @@ environments:
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       - conda: https://conda.anaconda.org/conda-forge/linux-64/matplotlib-3.9.4-py311h38be061_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/matplotlib-base-3.9.4-py311h2b939e6_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/matplotlib-inline-0.2.1-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/mdit-py-plugins-0.5.0-pyhd8ed1ab_0.conda
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       - conda: https://conda.anaconda.org/conda-forge/linux-64/menuinst-2.4.2-py311h38be061_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/mistune-3.2.0-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/more-itertools-10.8.0-pyhcf101f3_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/mpc-1.3.1-h24ddda3_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/mpfr-4.2.1-h90cbb55_3.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/mpg123-1.32.9-hc50e24c_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/mpmath-1.3.0-pyhd8ed1ab_1.conda
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       - conda: https://conda.anaconda.org/conda-forge/noarch/narwhals-2.15.0-pyhcf101f3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/nbclient-0.10.4-pyhd8ed1ab_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/nbconvert-core-7.16.6-pyhcf101f3_1.conda
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+      - conda: https://conda.anaconda.org/conda-forge/noarch/nest-asyncio-1.6.0-pyhd8ed1ab_1.conda
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       - conda: https://conda.anaconda.org/conda-forge/noarch/nodeenv-1.10.0-pyhd8ed1ab_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/notebook-7.5.3-pyhcf101f3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/notebook-shim-0.2.4-pyhd8ed1ab_1.conda
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@@ -240,7 +289,10 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/linux-64/openldap-2.6.10-he970967_0.conda
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       - conda: https://conda.anaconda.org/conda-forge/noarch/orsopy-1.2.1-pyhd8ed1ab_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/overrides-7.7.0-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/packaging-25.0-pyh29332c3_1.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/pandocfilters-1.5.0-pyhd8ed1ab_0.tar.bz2
+      - conda: https://conda.anaconda.org/conda-forge/noarch/parso-0.8.5-pyhcf101f3_0.conda
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       - conda: https://conda.anaconda.org/conda-forge/noarch/pexpect-4.9.0-pyhd8ed1ab_1.conda
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   md5: 4949ca7b83065cfe94ebe320aece8c72
@@ -5640,6 +6779,39 @@ packages:
   - pkg:pypi/wcwidth?source=hash-mapping
   size: 33670
   timestamp: 1758622418893
+- conda: https://conda.anaconda.org/conda-forge/noarch/webcolors-25.10.0-pyhd8ed1ab_0.conda
+  sha256: 21f6c8a20fe050d09bfda3fb0a9c3493936ce7d6e1b3b5f8b01319ee46d6c6f6
+  md5: 6639b6b0d8b5a284f027a2003669aa65
+  depends:
+  - python >=3.10
+  license: BSD-3-Clause
+  license_family: BSD
+  purls:
+  - pkg:pypi/webcolors?source=hash-mapping
+  size: 18987
+  timestamp: 1761899393153
+- conda: https://conda.anaconda.org/conda-forge/noarch/webencodings-0.5.1-pyhd8ed1ab_3.conda
+  sha256: 19ff205e138bb056a46f9e3839935a2e60bd1cf01c8241a5e172a422fed4f9c6
+  md5: 2841eb5bfc75ce15e9a0054b98dcd64d
+  depends:
+  - python >=3.9
+  license: BSD-3-Clause
+  license_family: BSD
+  purls:
+  - pkg:pypi/webencodings?source=hash-mapping
+  size: 15496
+  timestamp: 1733236131358
+- conda: https://conda.anaconda.org/conda-forge/noarch/websocket-client-1.9.0-pyhd8ed1ab_0.conda
+  sha256: 42a2b61e393e61cdf75ced1f5f324a64af25f347d16c60b14117393a98656397
+  md5: 2f1ed718fcd829c184a6d4f0f2e07409
+  depends:
+  - python >=3.10
+  license: Apache-2.0
+  license_family: APACHE
+  purls:
+  - pkg:pypi/websocket-client?source=hash-mapping
+  size: 61391
+  timestamp: 1759928175142
 - conda: https://conda.anaconda.org/conda-forge/noarch/wheel-0.45.1-pyhd8ed1ab_1.conda
   sha256: 1b34021e815ff89a4d902d879c3bd2040bc1bd6169b32e9427497fa05c55f1ce
   md5: 75cb7132eb58d97896e173ef12ac9986
@@ -5651,6 +6823,17 @@ packages:
   - pkg:pypi/wheel?source=hash-mapping
   size: 62931
   timestamp: 1733130309598
+- conda: https://conda.anaconda.org/conda-forge/noarch/widgetsnbextension-4.0.15-pyhd8ed1ab_0.conda
+  sha256: 826af5e2c09e5e45361fa19168f46ff524e7a766022615678c3a670c45895d9a
+  md5: dc257b7e7cad9b79c1dfba194e92297b
+  depends:
+  - python >=3.10
+  license: BSD-3-Clause
+  license_family: BSD
+  purls:
+  - pkg:pypi/widgetsnbextension?source=hash-mapping
+  size: 889195
+  timestamp: 1762040404362
 - conda: https://conda.anaconda.org/conda-forge/linux-64/xcb-util-0.4.1-h4f16b4b_2.conda
   sha256: ad8cab7e07e2af268449c2ce855cbb51f43f4664936eff679b1f3862e6e4b01d
   md5: fdc27cb255a7a2cc73b7919a968b48f0
@@ -5974,6 +7157,21 @@ packages:
   purls: []
   size: 223526
   timestamp: 1745307989800
+- conda: https://conda.anaconda.org/conda-forge/linux-64/zeromq-4.3.5-h387f397_9.conda
+  sha256: 47cfe31255b91b4a6fa0e9dbaf26baa60ac97e033402dbc8b90ba5fee5ffe184
+  md5: 8035e5b54c08429354d5d64027041cad
+  depends:
+  - libstdcxx >=14
+  - libgcc >=14
+  - __glibc >=2.17,<3.0.a0
+  - libgcc >=14
+  - libsodium >=1.0.20,<1.0.21.0a0
+  - krb5 >=1.21.3,<1.22.0a0
+  license: MPL-2.0
+  license_family: MOZILLA
+  purls: []
+  size: 310648
+  timestamp: 1757370847287
 - conda: https://conda.anaconda.org/conda-forge/noarch/zipp-3.23.0-pyhcf101f3_1.conda
   sha256: b4533f7d9efc976511a73ef7d4a2473406d7f4c750884be8e8620b0ce70f4dae
   md5: 30cd29cb87d819caead4d55184c1d115
diff --git a/pyproject.toml b/pyproject.toml
index 6f473a30..c281c571 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -87,6 +87,8 @@ matplotlib = "==3.9.4"
 plot-publisher = ">=1.0,<2.0"
 pyqt = ">=5,<6"
 qtpy = ">=2.4.3"
+sympy = ">=1.14.0,<2"
+jupyter = ">=1.1.1,<2"
 
 # Pypi packages to be installed in the environments with `pip`
 [tool.pixi.pypi-dependencies]
@@ -102,6 +104,7 @@ matplotlib = "==3.9.4"
 plot-publisher = ">=1.0,<2.0"
 pyqt = ">=5,<6"
 qtpy = ">=2.4.3"
+sympy = ">=1.14.0,<2"
 
 [tool.pixi.package]
 name = "lr_reduction"
diff --git a/src/lr_reduction/data_info.py b/src/lr_reduction/data_info.py
index ce017c69..6731e8c5 100644
--- a/src/lr_reduction/data_info.py
+++ b/src/lr_reduction/data_info.py
@@ -37,23 +37,66 @@ def from_workspace(cls, input_workspace: MantidWorkspace):
         sample_logs = SampleLogValues(input_workspace)
         value = cls.REFLECTED_BEAM
         try:
+            coordinate_system = CoordinateSystem.from_workspace(input_workspace)
             # Determine whether this is a direct beam based on the geometry
-            if (("BL4B:CS:Mode:Coordinates" in sample_logs and sample_logs["BL4B:CS:Mode:Coordinates"] == 0) or  # This is a new log for earth-centered
-                    sample_logs["BL4B:CS:ExpPl:OperatingMode"] == "Free Liquid"):  # This is for backward compatibility from before the new log value
-                # Earth-centered coordinate system
+            if coordinate_system == CoordinateSystem.EARTH_CENTERED:
                 thi = sample_logs["thi"]
                 tthd = sample_logs["tthd"]
                 if np.isclose(thi, tthd, atol=0.01):
                     value = cls.DIRECT_BEAM
-            else:
+            elif coordinate_system == CoordinateSystem.BEAM_CENTERED:
                 # Beam-centered coordinate system
                 ths = sample_logs["ths"]
                 tthd = sample_logs["tthd"]
                 if np.fabs(tthd) < 0.001 and np.fabs(ths) < 0.001:
                     value = cls.DIRECT_BEAM
-        except KeyError as e:
+            else:
+                logger.warning("Unknown coordinate system; assuming reflected beam")
+        except RuntimeError as e:
             logger.warning(f"Missing sample log {e}, assuming reflected beam")
         return value
 
     def __str__(self):
         return self.name
+
+
+class CoordinateSystem(IntEnum):
+    """
+    Enum to represent the coordinate system used in the experiment.
+
+    Attributes:
+        UNKNOWN (int): Represents unknown coordinate system.
+        EARTH_CENTERED (int): Represents the Earth-centered coordinate system.
+        BEAM_CENTERED (int): Represents the Beam-centered coordinate system.
+    """
+
+    UNKNOWN = -1
+    EARTH_CENTERED = 0
+    BEAM_CENTERED = 1
+
+    @classmethod
+    def from_workspace(cls, input_workspace: MantidWorkspace):
+        """
+        Determine the coordinate system from the given workspace.
+        """
+        sample_logs = SampleLogValues(input_workspace)
+        value = cls.UNKNOWN
+        try:
+            # This is the new log for coordinate system mode
+            if "BL4B:CS:Mode:Coordinates" in sample_logs:
+                if sample_logs["BL4B:CS:Mode:Coordinates"] == 0:
+                    value = cls.EARTH_CENTERED
+                else:
+                    value = cls.BEAM_CENTERED
+            # Fallback to older method using operating mode
+            elif "BL4B:CS:ExpPl:OperatingMode" in sample_logs:
+                if sample_logs["BL4B:CS:ExpPl:OperatingMode"] == "Free Liquid":
+                    value = cls.EARTH_CENTERED
+                else:
+                    value = cls.BEAM_CENTERED
+        except RuntimeError as e:
+            logger.warning(f"Missing sample log {e}, unable to determine coordinate system")
+        return value
+
+    def __str__(self):
+        return self.name
diff --git a/src/lr_reduction/event_reduction.py b/src/lr_reduction/event_reduction.py
index 284eaf90..ae397e4b 100644
--- a/src/lr_reduction/event_reduction.py
+++ b/src/lr_reduction/event_reduction.py
@@ -12,8 +12,11 @@
 import numpy as np
 from scipy.optimize import brentq
 
+from lr_reduction.data_info import CoordinateSystem
 from lr_reduction.gravity_correction import GravityDirection, gravity_correction
 from lr_reduction.instrument_settings import InstrumentSettings
+from lr_reduction.types import MantidWorkspace
+from lr_reduction.user_defined_function import UserDefinedFunction
 from lr_reduction.utils import mantid_algorithm_exec
 
 from . import background, dead_time_correction
@@ -573,7 +576,6 @@ def to_dict(self):
             norm_run=norm_run,
             time=time.ctime(),
             dq0=dq0,
-            dq_over_q=self.dq_over_q,
             sequence_number=sequence_number,
             sequence_id=sequence_id,
             q_summing=self.q_summing,
@@ -608,6 +610,8 @@ def specular(self, q_summing=False, tof_weighted=False, bck_in_q=False, clean=Fa
             The reflectivity values
         d_refl
             The uncertainties in the reflectivity values
+        dq_over_q_bins
+            The Q resolution associated with the q_bins
         """
         if tof_weighted:
             self.specular_weighted(q_summing=q_summing, bck_in_q=bck_in_q)
@@ -631,12 +635,13 @@ def specular(self, q_summing=False, tof_weighted=False, bck_in_q=False, clean=Fa
             self.d_refl = self.d_refl[idx[:-1]]
             self.q_bins = self.q_bins[idx]
 
-        # Compute Q resolution
-        self.dq_over_q = compute_resolution(self._ws_sc, theta=self.theta, q_summing=q_summing)
-        # TODO: integrate wavelength component to self.dq_over_q
         self.q_summing = q_summing
 
-        return self.q_bins, self.refl, self.d_refl
+        # Compute Q resolution
+        # For now keep the dq_over_q the same length as the q_bins to ensure conversion to mid-points is the same.
+        lambda_bin_list = 4 * np.pi * np.sin(self.theta) / self.q_bins
+        dq_over_q_bins = compute_resolution(self._ws_sc, wl_list=lambda_bin_list, theta=self.theta, q_summing=q_summing)
+        return self.q_bins, self.refl, self.d_refl, dq_over_q_bins
 
     def specular_unweighted(self, q_summing=False, normalize=True):
         """
@@ -1264,44 +1269,60 @@ def emission_time_correction(self, ws, tofs):
         return tofs
 
 
-def compute_resolution(ws, default_dq=0.027, theta=None, q_summing=False):
+def compute_theta_resolution(ws: MantidWorkspace, default_dq: float=0.027, theta: float=None, q_summing: bool=False) -> tuple[float, float]:
     """
-    Compute the Q resolution from the meta data.
+    Compute the theta component of the q resolution.
     Corrected to include both slits.
 
     Parameters
     ----------
     ws : mantid.api.Workspace
         Mantid workspace to extract correction meta-data from.
+    default_dq : float
+        Default dth/th value to use if resolution cannot be computed from logs.
     theta : float
-        Scattering angle in radians
+        Scattering angle in radians. If not provided will read ths or thi from ws.
     q_summing : bool
         If True, the pixel size will be used for the resolution
 
     Returns
     -------
-    float
-        The dQ/Q resolution (FWHM)
+    tuple[float, float]
+        The theta and dtheta values in degrees
     """
     settings = read_settings(ws)
 
     if theta is None:
-        theta = abs(ws.getRun().getProperty("ths").value[0]) * np.pi / 180.0
+        coordinate_system = CoordinateSystem.from_workspace(ws)
+        if coordinate_system == CoordinateSystem.EARTH_CENTERED:
+            Theta_deg = abs(ws.getRun().getProperty("thi").value[0])
+            theta = np.radians(Theta_deg)
+        else:
+            Theta_deg = abs(ws.getRun().getProperty("ths").value[0])
+            theta = np.radians(Theta_deg)
 
     if q_summing:
-        # Q resolution is reported as FWHM, so here we consider this to be
-        # related to the pixel width
+        # Compute pixel contribution to angular resolution
         sdd = 1830
         if settings.sample_detector_distance:
             sdd = settings.sample_detector_distance * 1000
-        pixel_size = 0.7
+        pixel_size = 0.7 # mm, default pixel size for BL4B
         if settings.pixel_width:
             pixel_size = settings.pixel_width
 
-        # All angles here in radians, assuming small angles
-        dq_over_q = np.arcsin(pixel_size / sdd) / theta
-        print("Q summing: %g" % dq_over_q)
-        return dq_over_q
+        det_res = 1.0  # mm, approximate value for detector resolution contribution
+        # Standard deviation of a top-hat function (uniform distribution)
+        sigma_pix = pixel_size / np.sqrt(12)
+        sigma_y = np.sqrt((det_res ** 2 + sigma_pix ** 2))
+
+        dtheta = np.arctan(sigma_y / sdd) # in radians
+
+        # Want to export in degrees
+        dtheta_deg = np.degrees(dtheta)
+        theta_deg = np.degrees(theta)
+
+        #print("Q summing: %g" % dq_over_q) ## Work out some print functions throughout.
+        return theta_deg, dtheta_deg
 
     # We can't compute the resolution if the value of xi is not in the logs.
     # Since it was not always logged, check for it here.
@@ -1309,26 +1330,37 @@ def compute_resolution(ws, default_dq=0.027, theta=None, q_summing=False):
         # For old data, the resolution can't be computed, so use
         # the standard value for the instrument
         print("Could not find BL4B:Mot:xi.RBV: using supplied dQ/Q")
-        return default_dq
+        theta_deg = np.degrees(theta)
+        return theta_deg, default_dq
 
-    # Xi reference would be the position of xi if the si slit were to be positioned
-    # at the sample. The distance from the sample to si is then xi_reference - xi.
-    xi_reference = 445
-    if ws.getInstrument().hasParameter("xi-reference"):
-        xi_reference = ws.getInstrument().getNumberParameter("xi-reference")[0]
+    # Compute the trapezoidal equivalent sigma of the angular distribution
+    theta_deg = np.degrees(theta)
+    _, _, _, dth_over_th = trapezoidal_distribution_params(
+        ws, Theta_deg=theta_deg
+    )
+    dtheta_deg = dth_over_th * theta_deg
 
-    # Distance between the s1 and the sample
-    s1_sample_distance = 1485
-    if settings.s1_sample_distance is not None:
-        s1_sample_distance = settings.s1_sample_distance * 1000
-
-    # Get slit gap openings.
-    s1h = abs(ws.getRun().getProperty("S1VHeight").value[0])
-    sih = abs(ws.getRun().getProperty("SiVHeight").value[0])
-    xi = abs(ws.getRun().getProperty("BL4B:Mot:xi.RBV").value[0])
-    sample_si_distance = xi_reference - xi
-    slit_distance = s1_sample_distance - sample_si_distance
-    dq_over_q = (s1h + sih) * 0.5 / slit_distance / theta
+    return theta_deg, dtheta_deg
+
+
+def compute_resolution(ws: MantidWorkspace, wl_list: np.ndarray, theta: float=None, q_summing: bool=False) -> np.ndarray:
+    """
+    Compute the q resolution including both theta and lambda terms.
+
+    :param ws: workspace for meta-data. If this is a lambda workspace
+        already it can be used as the lambda imports in place of the wl_list.
+    :param wl_list: Provide a list of wavelengths for the lambda calculation.
+    :param theta: option to overwrite theta input, otherwise uses ths/thi value.
+    :param q_summing: Changes the angular calculation to be based on slits or pixel sizes depending on method of q conversion.
+    """
+    ## Need to check through all the None's etc.
+    ## Need to check separate outputs...
+    theta_deg, delta_th_deg = compute_theta_resolution(ws, theta=theta, q_summing=q_summing)
+
+    wl_resolution_function = read_settings(ws).wavelength_resolution_function
+    lambda_list, delta_lam = compute_wavelength_resolution(wl_list, wl_resolution_function)
+
+    dq_over_q = np.sqrt((delta_lam / lambda_list) ** 2 + (delta_th_deg / theta_deg) ** 2)
     return dq_over_q
 
 
@@ -1347,7 +1379,7 @@ def trapezoidal_distribution_params(ws, Theta_deg=None, FootPrint=None, SlitRati
     ws : mantid.api.Workspace
         Mantid workspace to extract correction meta-data from.
     Theta_deg : float
-        Incident beam angle in degrees.
+        Incident beam angle in degrees. If not provided will read ths or thi from ws.
     FootPrint : float (optional)
         Beam footprint length on sample [mm].
     SlitRatio : float (optional)
@@ -1385,7 +1417,11 @@ def trapezoidal_distribution_params(ws, Theta_deg=None, FootPrint=None, SlitRati
     dS1Si = dS1Samp - dSiSamp
 
     if Theta_deg is None:
-        Theta_deg = abs(ws.getRun().getProperty("ths").value[0])
+        coordinate_system = CoordinateSystem.from_workspace(ws)
+        if coordinate_system == CoordinateSystem.EARTH_CENTERED:
+            Theta_deg = abs(ws.getRun().getProperty("thi").value[0])
+        else:
+            Theta_deg = abs(ws.getRun().getProperty("ths").value[0])
 
     # Slit openings - can be taken from a FootPrint and SlitRatio if provided, or the logs
     if FootPrint is not None and SlitRatio is not None:
@@ -1449,37 +1485,30 @@ def func(x):
 ## Fix q-bin error and auto trimming points
 
 
-def compute_wavelength_resolution(ws):
+def compute_wavelength_resolution(wl_list: np.ndarray, resolution_function_str: str) -> tuple[np.ndarray, np.ndarray]:
     """
-    Compute the wavelength resolution from the meta data.
+    Compute the wavelength resolution using the given resolution function.
 
     Parameters
     ----------
-    ws : mantid.api.Workspace
-        Mantid workspace to extract correction meta-data from.
+    wl_list : np.ndarray
+        Wavelength values to compute the resolution for.
+    resolution_function_str : str
+        User-defined resolution function.
 
     Returns
     -------
     tuple of np.ndarray
         (wavelength, d_lambda):
-            wavelength: the fitted wavelength values
-            d_lambda: the difference between wavelength and the fit
-
-    Raises
-    ------
-    ValueError : if ws does not have exactly one spectrum
+            wavelength: the wavelength values
+            d_lambda: the wavelength resolution values
     """
+    # Parse user-defined resolution function
+    resolution_function = UserDefinedFunction(resolution_function_str)
+    d_lambda = np.array(resolution_function(wl_list))
+    wavelength = np.array(wl_list)
 
-    if ws.spectrumInfo().size() != 1:
-        raise ValueError("Workspace must have only one spectrum")
-
-    settings = read_settings(ws)
-
-    out = api.EvaluateFunction(
-        Function=settings.wavelength_resolution_function, InputWorkspace=ws, OutputWorkspace="out"
-    )
-
-    wavelength = out.readX(1)
-    d_lambda = out.readY(1)
+    # Set any negative values to zero
+    d_lambda[d_lambda < 0] = 0
 
-    return np.array(wavelength), np.array(d_lambda)
+    return wavelength, d_lambda
diff --git a/src/lr_reduction/gravity_correction.py b/src/lr_reduction/gravity_correction.py
index 94d4c53d..05c968b2 100644
--- a/src/lr_reduction/gravity_correction.py
+++ b/src/lr_reduction/gravity_correction.py
@@ -2,6 +2,7 @@
 
 import numpy as np
 
+from lr_reduction.data_info import CoordinateSystem
 from lr_reduction.types import MantidWorkspace
 from lr_reduction.utils import workspace_handle
 
@@ -94,15 +95,11 @@ def _theta_in(workspace: MantidWorkspace) -> float:
 
     # Angle calculated from thi and a flag on earth-centered vs beam-centered
     thi = _log_value(run, "BL4B:Mot:thi.RBV")
-    if "BL4B:CS:Mode:Coordinates" in run:
-        if _log_value(run, "BL4B:CS:Mode:Coordinates") == 0:  # Earth-centered=0
-            theta_in = thi
-        else:
-            theta_in = thi - 4.0  # Beamline optics gives -4 deg incline. In future will have PV.
-    elif _log_value(run, "BL4B:CS:ExpPl:OperatingMode", default="") == "Free Liquid":
+    coordinate_system = CoordinateSystem.from_workspace(workspace)
+    if coordinate_system == CoordinateSystem.EARTH_CENTERED:
         theta_in = thi
     else:
-        theta_in = thi - 4.0
+        theta_in = thi - 4.0  # Beamline optics gives -4 deg incline. In future will have PV.
     return abs(theta_in)
 
 
diff --git a/src/lr_reduction/output.py b/src/lr_reduction/output.py
index c3ab511e..11b20052 100644
--- a/src/lr_reduction/output.py
+++ b/src/lr_reduction/output.py
@@ -165,7 +165,7 @@ def merge(self):
             self.d_refl_all = np.asarray(d_refl_all)
             self.d_qz_all = np.asarray(d_qz_all)
 
-    def save_ascii(self, file_path, meta_as_json=False):
+    def save_ascii(self, file_path, meta_as_json=False, fwhm=False):
         """
         Save R(Q) in ASCII format.
         This function merges the data before saving. It writes metadata and R(Q) data
@@ -179,6 +179,8 @@ def save_ascii(self, file_path, meta_as_json=False):
             The path to the file where the ASCII data will be saved.
         meta_as_json : bool, optional
             If True, metadata will be written in JSON format. Default is False.
+        fwhm: bool, optional
+            If True, dq column is labelled on output as FWHM otherwise labeled as sigma.
         """
         self.calculate_scale_factors()
         self.merge()
@@ -234,7 +236,10 @@ def save_ascii(self, file_path, meta_as_json=False):
                 initial_entry_written = True
 
             # Write R(q)
-            fd.write("# %-21s %-21s %-21s %-21s\n" % ("Q [1/Angstrom]", "R", "dR", "dQ [FWHM]"))
+            if fwhm:
+                fd.write("# %-21s %-21s %-21s %-21s\n" % ("Q [1/Angstrom]", "R", "dR", "dQ [FWHM]"))
+            else:
+                fd.write("# %-21s %-21s %-21s %-21s\n" % ("Q [1/Angstrom]", "R", "dR", "dQ [Resolution as Sigma]"))
             fd.writelines(
                 "%20.16f  %20.16f  %20.16f  %20.16f\n"
                 % (self.qz_all[i], self.refl_all[i], self.d_refl_all[i], self.d_qz_all[i])
diff --git a/src/lr_reduction/template.py b/src/lr_reduction/template.py
index e56c67bc..a0e135d7 100644
--- a/src/lr_reduction/template.py
+++ b/src/lr_reduction/template.py
@@ -11,6 +11,7 @@
 from mantid.simpleapi import logger
 
 from lr_reduction import event_reduction, peak_finding, reduction_template_reader
+from lr_reduction.data_info import CoordinateSystem
 from lr_reduction.instrument_settings import InstrumentSettings
 from lr_reduction.reduction_template_reader import ReductionParameters
 from lr_reduction.types import MantidWorkspace
@@ -262,10 +263,8 @@ def process_from_template_ws(
     if theta_value is not None:
         theta = theta_value * np.pi / 180.0
     else:
-        if (
-            "BL4B:CS:ExpPl:OperatingMode" in ws_sc.getRun()
-            and ws_sc.getRun().getProperty("BL4B:CS:ExpPl:OperatingMode").value[0] == "Free Liquid"
-        ):
+        coordinate_system = CoordinateSystem.from_workspace(ws_sc)
+        if coordinate_system == CoordinateSystem.EARTH_CENTERED:
             theta = thi_value * np.pi / 180.0
         else:
             theta = ths_value * np.pi / 180.0
@@ -361,10 +360,11 @@ def process_from_template_ws(
     print(f"{'*' * 88}\nevent_refl:\n{event_refl}\n{'*' * 88}")
 
     # R(Q)
-    qz, refl, d_refl = event_refl.specular(
+    qz, refl, d_refl, dq_over_q_bins = event_refl.specular(
         q_summing=q_summing, tof_weighted=tof_weighted, bck_in_q=bck_in_q, clean=clean, normalize=normalize
     )
     qz_mid = (qz[:-1] + qz[1:]) / 2.0
+    dq_over_q = (dq_over_q_bins[:-1] + dq_over_q_bins[1:]) / 2.0
 
     # When using composite direct beam, we don't need a scaling
     # factor file if the multiplier is in the logs
@@ -399,6 +399,7 @@ def process_from_template_ws(
     qz_mid = qz_mid[template_data.pre_cut : npts - template_data.post_cut]
     refl = refl[template_data.pre_cut : npts - template_data.post_cut]
     d_refl = d_refl[template_data.pre_cut : npts - template_data.post_cut]
+    dq_over_q = dq_over_q[template_data.pre_cut : npts - template_data.post_cut]
 
     if normalize and OUTPUT_NORM_DATA:
         lr = ws_sc.getRun().getProperty("LambdaRequest").value[0]
@@ -428,6 +429,6 @@ def process_from_template_ws(
         meta_data["tof_weighted"] = tof_weighted
         meta_data["bck_in_q"] = bck_in_q
         meta_data["theta_offset"] = template_data.angle_offset
-        return qz_mid, refl, d_refl, meta_data
+        return qz_mid, refl, d_refl, dq_over_q, meta_data
 
-    return qz_mid, refl, d_refl
+    return qz_mid, refl, d_refl, dq_over_q
diff --git a/src/lr_reduction/time_resolved.py b/src/lr_reduction/time_resolved.py
index 27702de2..42aeedfd 100644
--- a/src/lr_reduction/time_resolved.py
+++ b/src/lr_reduction/time_resolved.py
@@ -14,7 +14,7 @@
 mantid.kernel.config.setLogLevel(3)
 
 from . import template
-from .event_reduction import apply_dead_time_correction, compute_resolution
+from .event_reduction import apply_dead_time_correction, read_settings
 
 
 def reduce_30Hz_from_ws(
@@ -99,7 +99,8 @@ def reduce_30Hz_from_ws(
     dq0 = 0
     if meas_ws_30Hz.getInstrument().hasParameter("dq-constant"):
         dq0 = meas_ws_30Hz.getInstrument().getNumberParameter("dq-constant")[0]
-    dq_slope = compute_resolution(meas_ws_30Hz)
+    # To be backwards compatible with the old normalisation methods keep the compute_resolution from before here
+    dq_slope = old_compute_resolution(meas_ws_30Hz)
     print("Resolution: %g + %g Q" % (dq0, dq_slope))
     dq = dq0 + dq_slope * q[_idx]
     return np.asarray([q[_idx], r_q_final[_idx], dr_q_final[_idx], dq])
@@ -362,9 +363,7 @@ def reduce_slices_ws(
         try:
             _reduced = template.process_from_template_ws(tmpws, template_data, theta_value=theta_value, ws_db=ws_db)
 
-            dq0 = 0
-            dq_slope = compute_resolution(tmpws)
-            dq = dq0 + dq_slope * _reduced[0]
+            dq = _reduced[0] * _reduced[3]
             _reduced = [_reduced[0], _reduced[1], _reduced[2], dq]
             _reduced = np.asarray(_reduced)
 
@@ -386,22 +385,35 @@ def reduce_slices_ws(
     return reduced
 
 
-def plot_slices(reduced, title, time_interval, file_path, offset=10, show=True):
+def plot_slices(reduced, title, time_interval, file_path, offset=10, show=True, show_dq=True):
     fig, ax = plt.subplots(figsize=(6, 6))
 
     total_time = 0
     _running_offset = 1.0
     for _data in reduced:
-        qz, refl, d_refl, _ = _data
-
-        plt.errorbar(
-            qz,
-            refl * _running_offset,
-            yerr=d_refl * _running_offset,
-            markersize=4,
-            marker="o",
-            label="T=%g s" % total_time,
-        )
+        if show_dq:
+            qz, refl, d_refl, dq = _data
+
+            plt.errorbar(
+                qz,
+                refl * _running_offset,
+                yerr=d_refl * _running_offset,
+                xerr=dq,
+                markersize=4,
+                marker="o",
+                label="T=%g s" % total_time,
+            )
+        else:
+            qz, refl, d_refl, _ = _data
+
+            plt.errorbar(
+                qz,
+                refl * _running_offset,
+                yerr=d_refl * _running_offset,
+                markersize=4,
+                marker="o",
+                label="T=%g s" % total_time,
+            )
 
         total_time += time_interval
         _running_offset *= offset
@@ -439,3 +451,71 @@ def package_json_data(dynamic_run, dyn_data_dir, out_array=None):
             json.dump(dict(times=compiled_times, data=compiled_array), fp)
 
     return compiled_times, compiled_array
+
+
+def old_compute_resolution(ws, default_dq=0.027, theta=None, q_summing=False):
+    """
+    Compute the Q resolution from the meta data.
+    Corrected to include both slits.
+
+    Parameters
+    ----------
+    ws : mantid.api.Workspace
+        Mantid workspace to extract correction meta-data from.
+    theta : float
+        Scattering angle in radians
+    q_summing : bool
+        If True, the pixel size will be used for the resolution
+
+    Returns
+    -------
+    float
+        The dQ/Q resolution (FWHM)
+    """
+    settings = read_settings(ws)
+
+    if theta is None:
+        theta = abs(ws.getRun().getProperty("ths").value[0]) * np.pi / 180.0
+
+    if q_summing:
+        # Q resolution is reported as FWHM, so here we consider this to be
+        # related to the pixel width
+        sdd = 1830
+        if settings.sample_detector_distance:
+            sdd = settings.sample_detector_distance * 1000
+        pixel_size = 0.7
+        if settings.pixel_width:
+            pixel_size = settings.pixel_width
+
+        # All angles here in radians, assuming small angles
+        dq_over_q = np.arcsin(pixel_size / sdd) / theta
+        print("Q summing: %g" % dq_over_q)
+        return dq_over_q
+
+    # We can't compute the resolution if the value of xi is not in the logs.
+    # Since it was not always logged, check for it here.
+    if not ws.getRun().hasProperty("BL4B:Mot:xi.RBV"):
+        # For old data, the resolution can't be computed, so use
+        # the standard value for the instrument
+        print("Could not find BL4B:Mot:xi.RBV: using supplied dQ/Q")
+        return default_dq
+
+    # Xi reference would be the position of xi if the si slit were to be positioned
+    # at the sample. The distance from the sample to si is then xi_reference - xi.
+    xi_reference = 445
+    if ws.getInstrument().hasParameter("xi-reference"):
+        xi_reference = ws.getInstrument().getNumberParameter("xi-reference")[0]
+
+    # Distance between the s1 and the sample
+    s1_sample_distance = 1485
+    if settings.s1_sample_distance is not None:
+        s1_sample_distance = settings.s1_sample_distance * 1000
+
+    # Get slit gap openings.
+    s1h = abs(ws.getRun().getProperty("S1VHeight").value[0])
+    sih = abs(ws.getRun().getProperty("SiVHeight").value[0])
+    xi = abs(ws.getRun().getProperty("BL4B:Mot:xi.RBV").value[0])
+    sample_si_distance = xi_reference - xi
+    slit_distance = s1_sample_distance - sample_si_distance
+    dq_over_q = (s1h + sih) * 0.5 / slit_distance / theta
+    return dq_over_q
diff --git a/src/lr_reduction/user_defined_function.py b/src/lr_reduction/user_defined_function.py
new file mode 100644
index 00000000..7076a982
--- /dev/null
+++ b/src/lr_reduction/user_defined_function.py
@@ -0,0 +1,99 @@
+import sympy as sp
+
+
+class UserDefinedFunctionError(ValueError):
+    pass
+
+
+def parse_user_expression(s: str):
+    """
+    Parse function as a string into formula and params.
+    If entered from a Mantid function should skip the name part.
+
+    Parameters
+    ----------
+    s : str
+        The user-defined function string.
+
+    Returns
+    -------
+    tuple
+        (formula, params):
+            formula : str
+                The mathematical expression as a string.
+            params : dict
+                A dictionary of parameter names and their float values.
+
+    Raises
+    ------
+    ValueError
+        If the formula is missing in the input string.
+    """
+    parts = [p.strip() for p in s.split(",")]
+
+    formula = None
+    params = {}
+
+    for part in parts:
+        key, value = [x.strip() for x in part.split("=", 1)]
+
+        if key.lower() == "formula":
+            formula = value
+        elif key.lower() == "name":
+            continue
+        else:
+            params[key] = float(value)
+
+    if formula is None:
+        raise ValueError("Missing Formula=...")
+
+    return formula, params
+
+
+class UserDefinedFunction:
+    """Parses and evaluates a user-defined mathematical expression.
+
+    Attributes
+    ----------
+    expr_str : str
+        The original formula string provided by the user.
+
+    Raises
+    ------
+    SympifyError
+        If the formula cannot be parsed into a valid sympy expression.
+    ValueError
+        If there is a mismatch between parameters used in the formula and those provided.
+   """
+    def __init__(self, definition: str):
+        self.expr_str, self.params = parse_user_expression(definition)
+
+        self.x = sp.symbols("x")
+        self.param_symbols = {k: sp.symbols(k) for k in self.params}
+
+        self.expr = sp.sympify(
+            self.expr_str,
+            locals={"x": self.x, **self.param_symbols}
+        )
+
+        # Validate that all symbols in the expression are accounted for in the parameters
+        expr_params = self.expr.free_symbols - {self.x}
+        defined_params = set(self.param_symbols.values())
+
+        if expr_params != defined_params:
+            missing = expr_params - defined_params
+            extra = defined_params - expr_params
+            raise UserDefinedFunctionError(
+                "Parameter mismatch in user-defined function. "
+                f"Missing parameters: {[str(p) for p in missing]}. "
+                f"Extra parameters: {[str(p) for p in extra]}."
+            )
+
+        self._f = sp.lambdify(
+            (self.x, *self.param_symbols.values()),
+            self.expr,
+            modules="numpy"
+        )
+
+    def __call__(self, x):
+        return self._f(x, *self.params.values())
diff --git a/src/lr_reduction/workflow.py b/src/lr_reduction/workflow.py
index 7b7461c0..1a735e68 100644
--- a/src/lr_reduction/workflow.py
+++ b/src/lr_reduction/workflow.py
@@ -75,13 +75,14 @@ def reduce(
         template_data.angle_offset = theta_offset
 
     # Call the reduction using the template
-    qz_mid, refl, d_refl, meta_data = template.process_from_template_ws(
+    qz_mid, refl, d_refl, dq_over_q, meta_data = template.process_from_template_ws(
         ws, template_data, q_summing=q_summing, tof_weighted=bck_in_q, clean=q_summing, bck_in_q=bck_in_q, info=True
     )
 
     # Save partial results
     coll = output.RunCollection()
-    coll.add(qz_mid, refl, d_refl, meta_data=meta_data)
+    dq_calc = dq_over_q * qz_mid
+    coll.add(qz_mid, refl, d_refl, dq=dq_calc, meta_data=meta_data)
 
     # If this is live data, put it in a separate file to avoid conflict with auto-reduction
     if is_live:
@@ -419,9 +420,11 @@ def reduce_explorer(ws, ws_db, theta_pv=None, center_pixel=145, db_center_pixel=
     )
 
     # R(Q)
-    qz, refl, d_refl = event_refl.specular(
+    qz, refl, d_refl, dq_over_q_bins = event_refl.specular(
         q_summing=None, tof_weighted=False, bck_in_q=False, clean=False, normalize=True
     )
     qz_mid = (qz[:-1] + qz[1:]) / 2.0
+    dq_over_q = (dq_over_q_bins[:-1] + dq_over_q_bins[1:]) / 2.0
+    dq_output = dq_over_q * qz_mid
 
-    return qz_mid, refl, d_refl
+    return qz_mid, refl, d_refl, dq_output
diff --git a/tests/test_dead_time.py b/tests/test_dead_time.py
index 540612f4..1c6a9727 100644
--- a/tests/test_dead_time.py
+++ b/tests/test_dead_time.py
@@ -92,10 +92,10 @@ def test_full_reduction(nexus_dir, template_dir):
     template_data = template.read_template(template_path, sequence_number)
     template_data.dead_time = True
 
-    _, r1, _ = template.process_from_template_ws(ws, template_data)
+    _, r1, _, _ = template.process_from_template_ws(ws, template_data)
 
     template_data.dead_time = False
-    _, r2, _ = template.process_from_template_ws(ws, template_data)
+    _, r2, _, _ = template.process_from_template_ws(ws, template_data)
 
     corr = r1 / r2
     for c in corr:
diff --git a/tests/test_reduction.py b/tests/test_reduction.py
index 1fa0a40f..9919c148 100644
--- a/tests/test_reduction.py
+++ b/tests/test_reduction.py
@@ -58,16 +58,20 @@ def test_q_summing(template_dir, nexus_dir):
     template.read_template(template_path, 7)
     with amend_config(data_dir=nexus_dir):
         ws_sc = mtd_api.Load("REF_L_%s" % 198415)
-    qz_mid0, refl0, _, meta_data = template.process_from_template_ws(ws_sc, template_path, info=True)
+    qz_mid0, refl0, _, dq_over_q, _ = template.process_from_template_ws(ws_sc, template_path, info=True)
 
-    assert np.fabs(meta_data["dq_over_q"] - 0.02261) < 1e-3
+    # TODO: tighten the tolerance here once the equation has been updated
+    dq_over_q_expected = [0.014] * np.ones(43)
+    np.testing.assert_array_almost_equal(dq_over_q, dq_over_q_expected, decimal=3)
 
     # Now try with Q summing, which should have similar results
-    qz_mid, refl, _, meta_data = template.process_from_template_ws(
+    qz_mid, refl, _, dq_over_q, _ = template.process_from_template_ws(
         ws_sc, template_path, tof_weighted=True, info=True, q_summing=True
     )
 
-    assert np.fabs(meta_data["dq_over_q"] - 0.009354) < 1e-5
+    # TODO: tighten the tolerance here once the equation has been updated
+    dq_over_q_expected = [0.017] * np.ones(44)
+    np.testing.assert_array_almost_equal(dq_over_q, dq_over_q_expected, decimal=3)
 
     # Note that TOF weighted may have a slightly different range, so here we skip
     # the extra point.
@@ -109,9 +113,9 @@ def test_q_summing_as_option(template_dir, nexus_dir, template_file, q_summing,
         ws_sc = mtd_api.Load("REF_L_%s" % 198415)
 
     with patch.object(event_reduction.EventReflectivity, "specular") as mock_specular:
-        mock_specular.return_value = (np.array([1, 2, 3]), np.array([0.1, 0.2]), np.array([0.01, 0.02]))
+        mock_specular.return_value = (np.array([1, 2, 3]), np.array([0.1, 0.2]), np.array([0.01, 0.02]), np.array([0.01, 0.02]))
 
-        qz_mid, refl, _, meta_data = template.process_from_template_ws(
+        qz_mid, refl, _, dq_over_q, meta_data = template.process_from_template_ws(
             ws_sc, template_path, tof_weighted=tof_weighted, info=True, q_summing=q_summing
         )
 
@@ -131,17 +135,18 @@ def test_full_reduction(template_dir, nexus_dir):
     qz_all = []
     refl_all = []
     d_refl_all = []
+    dq_q_all = []
     first_run = None
     for run_number in range(198409, 198417):
         with amend_config(data_dir=nexus_dir):
             ws_sc = mtd_api.Load("REF_L_%s" % run_number)
-        qz_mid, refl, d_refl = template.process_from_template_ws(ws_sc, template_path)
+        qz_mid, refl, d_refl, dq_over_q = template.process_from_template_ws(ws_sc, template_path)
 
         if first_run is None:
             first_run = run_number
-            resolution = event_reduction.compute_resolution(ws_sc)
 
         for i in range(len(qz_mid)):
+            dq_q_all.append(dq_over_q[i])
             qz_all.append(qz_mid[i])
             refl_all.append(refl[i])
             d_refl_all.append(d_refl[i])
@@ -149,13 +154,18 @@ def test_full_reduction(template_dir, nexus_dir):
     qz_all = np.asarray(qz_all)
     refl_all = np.asarray(refl_all)
     d_refl_all = np.asarray(d_refl_all)
+    dq_q_all = np.asarray(dq_q_all)
     idx = np.argsort(qz_all)
 
     qz_all = np.take_along_axis(qz_all, idx, axis=None)
     refl_all = np.take_along_axis(refl_all, idx, axis=None)
     d_refl_all = np.take_along_axis(d_refl_all, idx, axis=None)
+    dq_q_all = np.take_along_axis(dq_q_all, idx, axis=None)
 
-    assert np.fabs(resolution - 0.022751) < 1e-5
+    # TODO: tighten the tolerance and compare to the values in the reference file once the equation has been updated
+    dq_q_expected = [0.01] * np.ones(241)
+    np.testing.assert_array_almost_equal(dq_q_all, dq_q_expected, decimal=2)
+    # assert np.fabs(dq_q_all[0] - 0.022751) < 1e-5
     ref_data = np.loadtxt("data/reference_rq.txt").T
 
     # Optional plotting for checking tests:
@@ -263,17 +273,6 @@ def test_reduce_functional_bck(nexus_dir, template_dir, tmp_path):
         assert average_fractional_difference < 0.07
 
 
-def test_compute_wavelength_resolution_n_spectra():
-    """
-    Call compute wavelength resolution method with a workspace
-    of multiple spectra
-    """
-    ws = mtd_api.CreateSampleWorkspace(WorkspaceType="Event")
-
-    with pytest.raises(ValueError):
-        _, _ = event_reduction.compute_wavelength_resolution(ws)
-
-
 def test_reduce_bck_option_mismatch(template_dir, nexus_dir, tmp_path):
     """
     Ask for functional background but pass by a background range with
diff --git a/tests/unit/lr_reduction/test_data_info.py b/tests/unit/lr_reduction/test_data_info.py
index a9f8edac..af5ad9fe 100644
--- a/tests/unit/lr_reduction/test_data_info.py
+++ b/tests/unit/lr_reduction/test_data_info.py
@@ -1,85 +1,127 @@
-from unittest.mock import Mock, patch
-
-from lr_reduction.data_info import DataType
-
-
-@patch("lr_reduction.data_info.SampleLogValues")
-def test_from_workspace_direct_beam_earth_centered_coordinates(mock_sample_logs_class):
-    """Test direct beam detection with earth-centered coordinates"""
-    mock_logs = {
-        "BL4B:CS:Mode:Coordinates": 0,
-        "thi": 0.800,
-        "tthd": 0.805,
-    }
-    mock_sample_logs_class.return_value = mock_logs
-
-    result = DataType.from_workspace(Mock())
-    assert result == DataType.DIRECT_BEAM
-
-
-@patch("lr_reduction.data_info.SampleLogValues")
-def test_from_workspace_direct_beam_free_liquid_mode(mock_sample_logs_class):
-    """Test direct beam detection with free liquid mode"""
-    mock_logs = {
-        "BL4B:CS:Mode:Coordinates": 1,
-        "BL4B:CS:ExpPl:OperatingMode": "Free Liquid",
-        "thi": 0.210,
-        "tthd": 0.212,
-    }
-    mock_sample_logs_class.return_value = mock_logs
-
-    result = DataType.from_workspace(Mock())
-    assert result == DataType.DIRECT_BEAM
-
-
-@patch("lr_reduction.data_info.SampleLogValues")
-def test_from_workspace_reflected_beam_earth_centered(mock_sample_logs_class):
-    """Test reflected beam detection with earth-centered coordinates"""
-    mock_logs = {
-        "BL4B:CS:Mode:Coordinates": 0,
-        "thi": 0.5,
-        "tthd": 1.0,
-    }
-    mock_sample_logs_class.return_value = mock_logs
-
-    result = DataType.from_workspace(Mock())
-    assert result == DataType.REFLECTED_BEAM
-
-
-@patch("lr_reduction.data_info.SampleLogValues")
-def test_from_workspace_reflected_beam_beam_centered(mock_sample_logs_class):
-    """Test reflected beam detection with beam-centered coordinates"""
-    mock_logs = {
-        "BL4B:CS:Mode:Coordinates": 1,
-        "BL4B:CS:ExpPl:OperatingMode": "Other",
-        "ths": 0.5,
-        "tthd": 1.0,
-    }
-    mock_sample_logs_class.return_value = mock_logs
-
-    result = DataType.from_workspace(Mock())
-    assert result == DataType.REFLECTED_BEAM
-
-
-@patch("lr_reduction.data_info.SampleLogValues")
-def test_from_workspace_direct_beam_beam_centered(mock_sample_logs_class):
-    """Test direct beam detection with beam-centered coordinates"""
-    mock_logs = {
-        "BL4B:CS:Mode:Coordinates": 1,
-        "BL4B:CS:ExpPl:OperatingMode": "Other",
-        "ths": 0.0006,
-        "tthd": 0.0008,
-    }
-    mock_sample_logs_class.return_value = mock_logs
-
-    result = DataType.from_workspace(Mock())
-    assert result == DataType.DIRECT_BEAM
-
-
-@patch("lr_reduction.data_info.SampleLogValues")
-def test_from_workspace_missing_logs(mock_sample_logs_class):
-    """Test that missing logs default to reflected beam"""
-    mock_sample_logs_class.return_value = {}
-
-    result = DataType.from_workspace(Mock())
-    assert result == DataType.REFLECTED_BEAM
+import pytest
+from mantid.simpleapi import AddSampleLog, CreateSingleValuedWorkspace, mtd
+
+from lr_reduction.data_info import CoordinateSystem, DataType
+
+
+class TestDataType:
+    """Test suite for DataType enum"""
+
+    def test_from_workspace_direct_beam_earth_centered_coordinates(self):
+        """Test direct beam detection with earth-centered coordinates"""
+        workspace = mtd.unique_hidden_name()
+        CreateSingleValuedWorkspace(OutputWorkspace=workspace)
+        AddSampleLog(Workspace=workspace, LogName="BL4B:CS:Mode:Coordinates", LogText="0", LogType="Number Series")
+        AddSampleLog(Workspace=workspace, LogName="thi", LogText="0.800", LogType="Number")
+        AddSampleLog(Workspace=workspace, LogName="tthd", LogText="0.805", LogType="Number")
+
+        result = DataType.from_workspace(workspace)
+        assert result == DataType.DIRECT_BEAM
+
+
+    def test_from_workspace_direct_beam_free_liquid_mode(self):
+        """Test direct beam detection with free liquid mode"""
+        workspace = mtd.unique_hidden_name()
+        CreateSingleValuedWorkspace(OutputWorkspace=workspace)
+        AddSampleLog(Workspace=workspace, LogName="BL4B:CS:ExpPl:OperatingMode", LogText="Free Liquid", LogType="String")
+        AddSampleLog(Workspace=workspace, LogName="thi", LogText="0.210", LogType="Number")
+        AddSampleLog(Workspace=workspace, LogName="tthd", LogText="0.212", LogType="Number")
+
+        result = DataType.from_workspace(workspace)
+        assert result == DataType.DIRECT_BEAM
+
+
+    def test_from_workspace_reflected_beam_earth_centered(self):
+        """Test reflected beam detection with earth-centered coordinates"""
+        workspace = mtd.unique_hidden_name()
+        CreateSingleValuedWorkspace(OutputWorkspace=workspace)
+        AddSampleLog(Workspace=workspace, LogName="BL4B:CS:Mode:Coordinates", LogText="0", LogType="Number Series")
+        AddSampleLog(Workspace=workspace, LogName="thi", LogText="0.5", LogType="Number")
+        AddSampleLog(Workspace=workspace, LogName="tthd", LogText="1.0", LogType="Number")
+
+        result = DataType.from_workspace(workspace)
+        assert result == DataType.REFLECTED_BEAM
+
+
+    def test_from_workspace_reflected_beam_beam_centered(self):
+        """Test reflected beam detection with beam-centered coordinates"""
+        workspace = mtd.unique_hidden_name()
+        CreateSingleValuedWorkspace(OutputWorkspace=workspace)
+        AddSampleLog(Workspace=workspace, LogName="BL4B:CS:Mode:Coordinates", LogText="1", LogType="Number Series")
+        AddSampleLog(Workspace=workspace, LogName="BL4B:CS:ExpPl:OperatingMode", LogText="Other", LogType="String")
+        AddSampleLog(Workspace=workspace, LogName="thi", LogText="0.5", LogType="Number")
+        AddSampleLog(Workspace=workspace, LogName="tthd", LogText="1.0", LogType="Number")
+
+        result = DataType.from_workspace(workspace)
+        assert result == DataType.REFLECTED_BEAM
+
+
+    def test_from_workspace_direct_beam_beam_centered(self):
+        """Test direct beam detection with beam-centered coordinates"""
+        workspace = mtd.unique_hidden_name()
+        CreateSingleValuedWorkspace(OutputWorkspace=workspace)
+        AddSampleLog(Workspace=workspace, LogName="BL4B:CS:Mode:Coordinates", LogText="1", LogType="Number Series")
+        AddSampleLog(Workspace=workspace, LogName="BL4B:CS:ExpPl:OperatingMode", LogText="Other", LogType="String")
+        AddSampleLog(Workspace=workspace, LogName="ths", LogText="0.0006", LogType="Number")
+        AddSampleLog(Workspace=workspace, LogName="tthd", LogText="0.0008", LogType="Number")
+
+        result = DataType.from_workspace(workspace)
+        assert result == DataType.DIRECT_BEAM
+
+
+    def test_from_workspace_missing_logs(self):
+        """Test that missing logs default to reflected beam"""
+        workspace = mtd.unique_hidden_name()
+        CreateSingleValuedWorkspace(OutputWorkspace=workspace)
+
+        result = DataType.from_workspace(workspace)
+        assert result == DataType.REFLECTED_BEAM
+
+
+class TestCoordinateSystem:
+    """Test suite for CoordinateSystem enum"""
+
+    @pytest.mark.parametrize("log_coordinates,expected_coordinate_system", [
+        ("0", CoordinateSystem.EARTH_CENTERED),
+        ("1", CoordinateSystem.BEAM_CENTERED),
+    ])
+    def test_from_workspace_coordinates_only(self, log_coordinates, expected_coordinate_system):
+        """Test coordinate system detection via coordinates log only"""
+        workspace = mtd.unique_hidden_name()
+        CreateSingleValuedWorkspace(OutputWorkspace=workspace)
+        AddSampleLog(Workspace=workspace, LogName="BL4B:CS:Mode:Coordinates", LogText=log_coordinates, LogType="Number Series")
+
+        result = CoordinateSystem.from_workspace(workspace)
+        assert result == expected_coordinate_system
+
+    @pytest.mark.parametrize("log_operatingmode,expected_coordinate_system", [
+        ("Free Liquid", CoordinateSystem.EARTH_CENTERED),
+        ("Other", CoordinateSystem.BEAM_CENTERED),
+    ])
+    def test_from_workspace_operatingmode_only(self, log_operatingmode, expected_coordinate_system):
+        """Test coordinate system detection via operating mode log only"""
+        workspace = mtd.unique_hidden_name()
+        CreateSingleValuedWorkspace(OutputWorkspace=workspace)
+        AddSampleLog(Workspace=workspace, LogName="BL4B:CS:ExpPl:OperatingMode", LogText=log_operatingmode, LogType="String")
+
+        result = CoordinateSystem.from_workspace(workspace)
+        assert result == expected_coordinate_system
+
+    @pytest.mark.parametrize("log_coordinates,log_operatingmode,expected_coordinate_system", [
+        ("0", "Other", CoordinateSystem.EARTH_CENTERED),
+        ("0", "Free Liquid", CoordinateSystem.EARTH_CENTERED),
+        ("1", "Other", CoordinateSystem.BEAM_CENTERED),
+        ("1", "Free Liquid", CoordinateSystem.BEAM_CENTERED),
+    ])
+    def test_from_workspace_both_logs_present(self, log_coordinates, log_operatingmode, expected_coordinate_system):
+        """Test coordinate system detection when both logs are present
+
+        Note: the coordinates log takes precedence over operating mode.
+        """
+        workspace = mtd.unique_hidden_name()
+        CreateSingleValuedWorkspace(OutputWorkspace=workspace)
+        AddSampleLog(Workspace=workspace, LogName="BL4B:CS:Mode:Coordinates", LogText=log_coordinates, LogType="Number Series")
+        AddSampleLog(Workspace=workspace, LogName="BL4B:CS:ExpPl:OperatingMode", LogText=log_operatingmode, LogType="String")
+
+        result = CoordinateSystem.from_workspace(workspace)
+        assert result == expected_coordinate_system
diff --git a/tests/unit/test_event_reduction.py b/tests/unit/lr_reduction/test_event_reduction.py
similarity index 56%
rename from tests/unit/test_event_reduction.py
rename to tests/unit/lr_reduction/test_event_reduction.py
index 5b32d423..b226f070 100644
--- a/tests/unit/test_event_reduction.py
+++ b/tests/unit/lr_reduction/test_event_reduction.py
@@ -1,9 +1,11 @@
 from unittest.mock import MagicMock
 
+import mantid.simpleapi as mtd_api
 import numpy as np
 import pytest
 
 from lr_reduction import event_reduction
+from lr_reduction.utils import amend_config
 
 
 @pytest.fixture
@@ -18,7 +20,8 @@ def _make_mock_ws(properties=None, xi_reference=445, start_time="2025-07-14T10:0
         def get_property_side_effect(name):
             val = properties.get(name)
             if val is None:
-                raise KeyError(f"Property {name} not in mock properties")
+                # Mantid raises RuntimeError if property not found for workspace run
+                raise RuntimeError(f"Property {name} not in mock properties")
             mock = MagicMock()
             mock.value = [val]  # keep consistent with .value[0]
             return mock
@@ -75,3 +78,33 @@ def test_trapezoid_gaussian_function(make_mock_ws):
     assert dth_over_th == pytest.approx(0.01176, rel=1e-3)
     assert L_bottom == pytest.approx(0.0093, rel=1e-3)
     assert l_top == pytest.approx(0.0031, rel=1e-3)
+
+
+@pytest.mark.datarepo
+@pytest.mark.parametrize("q_summing, theta_expected, dtheta_expected", [(False, 1.1825526, 0.011999676), (True, 1.1825526, 0.031941999)])
+def test_compute_theta_resolution(q_summing, theta_expected, dtheta_expected, nexus_dir):
+    """Test the compute_theta_resolution function."""
+    with amend_config(data_dir=nexus_dir):
+        ws = mtd_api.LoadEventNexus("REF_L_201287")
+
+    theta, dtheta = event_reduction.compute_theta_resolution(ws, q_summing=q_summing)
+    assert theta == pytest.approx(theta_expected, rel=1e-6)
+    assert dtheta == pytest.approx(dtheta_expected, rel=1e-6)
+
+
+def test_compute_wavelength_resolution():
+    """Test the compute_wavelength_resolution function."""
+    resolution_function_str = "name=UserFunction, Formula=L - A * exp(-k * x), L=0.07564423, A=0.13093263, k=0.34918918"
+
+    wavelengths = np.array([11.4254409079602, 11.20141265486294, 10.981777112610725, 10.766448149618357, 10.555341323155254, 10.34837384623064, 10.145464555128079, 9.946533877576549, 9.751503801545635, 9.560297844652583, 9.3728410241692, 9.189059827616862, 9.0088821839381, 8.83223743523343, 8.659056309052383, 8.489270891227827, 8.322814599242967, 8.159622156120555, 7.999629564824074, 7.842774083160856, 7.688994199177309])
+
+    # Calculate expected resolution using the default formula:
+    # L - A * exp(-k * x), L=0.07564423, A=0.13093263, k=0.34918918
+    A = 0.13093263
+    L = 0.07564423
+    k = 0.34918918
+    expected_resolution = L - A * np.exp(-k * wavelengths)
+
+    _, wavelength_resolution = event_reduction.compute_wavelength_resolution(wavelengths, resolution_function_str)
+    assert len(wavelength_resolution) == len(wavelengths)
+    np.testing.assert_array_almost_equal(wavelength_resolution, expected_resolution, decimal=5)
diff --git a/tests/unit/lr_reduction/test_user_defined_function.py b/tests/unit/lr_reduction/test_user_defined_function.py
new file mode 100644
index 00000000..bc083fec
--- /dev/null
+++ b/tests/unit/lr_reduction/test_user_defined_function.py
@@ -0,0 +1,95 @@
+import numpy as np
+import pytest
+import sympy
+
+from lr_reduction.user_defined_function import UserDefinedFunction, UserDefinedFunctionError, parse_user_expression
+
+
+class TestParseUserExpression:
+    """Tests for parse_user_expression function."""
+
+    def test_parse_simple_formula(self):
+        """Test parsing a simple formula with no parameters."""
+        formula, params = parse_user_expression("formula=x+1")
+        assert formula == "x+1"
+        assert params == {}
+
+    def test_parse_formula_with_parameters(self):
+        """Test parsing formula with multiple parameters."""
+        formula, params = parse_user_expression("formula=a*x+b, a=2.5, b=1.0")
+        assert formula == "a*x+b"
+        assert params == {"a": 2.5, "b": 1.0}
+
+    def test_parse_with_name_field(self):
+        """Test that name field is skipped."""
+        formula, params = parse_user_expression("name=MyFunc, formula=x**2, c=3.0")
+        assert formula == "x**2"
+        assert params == {"c": 3.0}
+
+    def test_parse_with_whitespace(self):
+        """Test parsing with extra whitespace."""
+        formula, params = parse_user_expression("  formula = x*2  ,  param = 5.5  ")
+        assert formula == "x*2"
+        assert params == {"param": 5.5}
+
+    def test_parse_missing_formula_raises_error(self):
+        """Test that missing formula raises ValueError."""
+        with pytest.raises(ValueError, match="Missing Formula"):
+            parse_user_expression("a=1.0, b=2.0")
+
+    def test_parse_empty_parameters(self):
+        """Test parsing formula with no parameters."""
+        formula, params = parse_user_expression("formula=sin(x)")
+        assert formula == "sin(x)"
+        assert params == {}
+
+
+class TestUserDefinedFunction:
+    """Tests for UserDefinedFunction class."""
+
+    def test_simple_linear_function(self):
+        """Test evaluation of a simple linear function."""
+        udf = UserDefinedFunction("formula=2*x+1")
+        result = udf(3)
+        assert result == 7
+
+    def test_function_with_parameters(self):
+        """Test function with parameters."""
+        udf = UserDefinedFunction("formula=a*x+b, a=2.0, b=3.0")
+        result = udf(5)
+        np.testing.assert_almost_equal(result, 13.0)
+
+    def test_function_with_numpy_array(self):
+        """Test function evaluation with numpy array input."""
+        udf = UserDefinedFunction("formula=x**2")
+        x = np.array([1, 2, 3, 4])
+        result = udf(x)
+        np.testing.assert_array_equal(result, np.array([1, 4, 9, 16]))
+
+    def test_function_with_multiple_parameters(self):
+        """Test function with multiple parameters."""
+        udf = UserDefinedFunction("formula=a*x**2+b*x+c, a=1.0, b=2.0, c=3.0")
+        result = udf(2)
+        np.testing.assert_almost_equal(result, 11.0)
+
+    def test_function_with_trigonometric_expression(self):
+        """Test function with trigonometric expressions."""
+        udf = UserDefinedFunction("formula=sin(x)")
+        result = udf(0)
+        np.testing.assert_almost_equal(result, 0.0)
+
+    def test_function_with_exponential(self):
+        """Test function with exponential expression."""
+        udf = UserDefinedFunction("formula=exp(scale*x), scale=1.0")
+        result = udf(0)
+        np.testing.assert_almost_equal(result, 1.0)
+
+    def test_invalid_formula_raises_error(self):
+        """Test that invalid formula raises an error."""
+        with pytest.raises(sympy.SympifyError):
+            UserDefinedFunction("formula=x+++")
+
+    def test_parameter_name_mismatch_raises_error(self):
+        """Test that parameter names in formula must match those provided."""
+        with pytest.raises(UserDefinedFunctionError, match="Parameter mismatch"):
+            UserDefinedFunction("formula=a*x+b, a=2.0, c=3.0")