eclab.mpr: Further fixes (#182)

* mpr file fixes

* revert warning -> valueerror

* Fix appended/merged files.

* Add reference to paper.

* ruff

---------

Co-authored-by: Arnd Koeppe <arnd.koeppe@kit.edu>

docs/source/citing.rst

@@ -1,10 +1,28 @@
 Citing **yadg**
 ---------------
-**yadg** is currently being developed at the `ConCat Lab <https://tu.berlin/en/concat>`_ at Technische Universität Berlin, Berlin, Germany. It has been previously developed at `Materials for Energy Conversion lab <https://www.empa.ch/web/s501>`_ at Empa, Dübendorf, Switzerland. If you find **yadg** useful, please cite our recent paper [Kraus2022b]_, or our previous work where **yadg** was first introduced [Kraus2022a]_. We extend no warranty, neither express nor implied.
+**yadg** is currently being developed at the `ConCat Lab <https://tu.berlin/en/concat>`_ at Technische Universität Berlin, Berlin, Germany. It has been previously developed at `Materials for Energy Conversion lab <https://www.empa.ch/web/s501>`_ at Empa, Dübendorf, Switzerland. If you find **yadg** useful, please cite our recent paper [Kraus2022b]_, or our previous work where **yadg** was first introduced [Kraus2022a]_.
+
+We extend no warranty, neither express nor implied.
+
+.. [Kraus2022b]
+  Kraus, P.; Vetsch, N.; Battaglia, C. *yadg: yet another datagram*, Journal of Open Source Software **2022**, *7*, 4166, DOI: https://doi.org/10.21105/joss.04166
+
+.. [Kraus2022a]
+  Kraus, P.; Wolf, E.H.; Prinz, C.; Bellini, G.; Trunschke, A.; Schlögl, R. *Towards automation of operando experiments: a case study in contactless conductivity measurements*, Digital Discovery **2022**, *1*, 241, DOI: https://doi.org/10.1039/D1DD00029B
+
 
 Papers related to yadg
 ``````````````````````
+If you found **yadg** useful, and would like your publication listed, let us know!
+
+.. [#]
+  Stüble, P.; Müller, C.; Bohn, N.; Müller, M.; Hofmann, A.; Akçay, T.; Klemens, J.; Koeppe, A.; Kolli, S.; Rajagopal, D.; Geßwein, H.; Schabel, W.; Scharfer, P.; Selzer, M.; Binder, J. R.; Smith, A.; *From Powder to Pouch Cell: Setting up a Sodium-Ion Battery Reference System Based on Na3V2(PO4)3/C and Hard Carbon*, Batteries & Supercaps **2024**, e202400406, DOI: https://doi.org/10.1002/batt.202400406
+
+.. [#]
+  Senocrate, A.; Bernasconi, F.; Kraus, P.; Plainpan, N.; Trafkowski, J.; Tolle, F.; Weber, T.; Sauter, U.; Battaglia, C.; *Parallel experiments in electrochemical CO2 reduction enabled by standardized analytics*, Nature Catalysis **2024**, *7*, 742, DOI: https://doi.org/10.1038/s41929-024-01172-x
 
-.. [Kraus2022b] Kraus, P.; Vetsch, N.; Battaglia, C. *yadg: yet another datagram*, Journal of Open Source Software **2022**, *7*, 4166, DOI: https://doi.org/10.21105/joss.04166
+.. [#]
+  Kraus, P.; Bainglass, E.; Ramirez, F. F.; Svaluto-Ferro, E.; Ercole, L.; Kunz, B.; Huber, S. P.; Plainpan, N.; Marzari, N.; Battaglia, C.; Pizzi, G. *A bridge between trust and control: computational workflows meet automated battery cycling*, Journal of Materials Chemistry A **2024**, *12*, 10773, DOI: https://doi.org/10.1039/D3TA06889G
 
-.. [Kraus2022a] Kraus, P.; Wolf, E.H.; Prinz, C.; Bellini, G.; Trunschke, A.; Schlögl, R. *Towards automation of operando experiments: a case study in contactless conductivity measurements*, Digital Discovery **2022**, *1*, 241, DOI: https://doi.org/10.1039/D1DD00029B
+.. [#]
+  Bernasconi, F.; Senocrate, A.; Kraus, P.; Battaglia, C.; *Enhancing C≥2 product selectivity in electrochemical CO2 reduction by controlling the microstructure of gas diffusion electrodes*, EES Catalysis **2023**, *1*, 1009, DOI: https://doi.org/10.1039/D3EY00140G

docs/source/conf.py

@@ -88,3 +88,5 @@
     "xarray": ("https://docs.xarray.dev/en/stable", None),
     "datatree": ("https://xarray-datatree.readthedocs.io/en/latest/", None),
 }
+
+suppress_warnings = ["ref.footnote"]

src/yadg/parsers/electrochem/eclabcommon/techniques.py

@@ -1063,6 +1063,7 @@ def technique_params(technique: str, settings: list[str]) -> tuple[str, list]:
     0x1E: ("GEIS", _geis_params_dtype),
     0x32: ("ZIR", _zir_params_dtypes),
     0x6C: ("LSV", _lsv_params_dtype),
+    0x77: ("GCPL", _gcpl_params_dtypes),
     0x7F: ("MB", _mb_params_dtypes),
 }
 

src/yadg/parsers/electrochem/eclabmpr.py

@@ -371,6 +371,8 @@ def process_data(
     allmeta = dict()
     values = np.frombuffer(data, offset=offset, dtype=data_dtype, count=n_datapoints)
     values = [dict(zip(value.dtype.names, value.item())) for value in values]
+    warn_I_range = False
+    warn_Ns = False
     for vi, vals in enumerate(values):
         # Lets split this into two loops: get the indices first, then the data
         for (name, value), unit in list(zip(vals.items(), unitlist)):
@@ -390,19 +392,20 @@ def process_data(
                 # Rightshift flag by that amount.
                 vals[name] = (flag_bits & bitmask) >> shift
 
-        if "Ns" in vals:
-            Erange = Eranges[vals["Ns"]]
-            Irstr = Iranges[vals["Ns"]]
-        else:
-            Erange = Eranges[0]
-            Irstr = Iranges[0]
+        Ns = vals.get("Ns", 0)
+        # Manually merged/appended mpr files have a mysteriously larger Ns
+        if Ns >= len(Eranges):
+            warn_Ns = True
+            Ns = len(Eranges) - 1
+        Erange = Eranges[Ns]
+        Irstr = Iranges[Ns]
         if "I Range" in vals:
             Irstr = vals["I Range"]
         Irange = param_from_key("I_range", Irstr, to_str=False)
         devs = {}
         if "control_V_I" in vals:
-            icv = controls[vals["Ns"]]
-            name = f"control_{icv}"
+            icv = controls[Ns]
+            name = "control_I" if icv in {"I", "C"} else "control_V"  # f"control_{icv}"
             vals[name] = vals.pop("control_V_I")
             units[name] = "mA" if icv in {"I", "C"} else "V"
         for name, value in vals.items():
@@ -412,6 +415,10 @@ def process_data(
             devs[name] = get_resolution(name, value, unit, Erange, Irange)
 
         append_dicts(vals, devs, allvals, allmeta, li=vi)
+    if warn_I_range:
+        logger.warning("I Range could not be understood, defaulting to 1 A.")
+    if warn_Ns:
+        logger.warning("Ns found in data exceeds Ns in header, using last defined Ns.")
 
     ds = dicts_to_dataset(allvals, allmeta, units, fulldate=False)
     return ds

src/yadg/parsers/electrochem/eclabmpt.py

@@ -147,7 +147,7 @@ def process_data(
     units = dict()
     columns = list()
     for n in names:
-        c, u = column_units[n]
+        c, u = column_units[n.strip()]
         columns.append(c)
         if u is not None:
             units[c] = u