From dba8e6ebdacf896d483e6856b0bd57aa9cfd68cc Mon Sep 17 00:00:00 2001
From: mkuehbach <markus.kuehbach@physik.hu-berlin.de>
Date: Fri, 3 May 2024 12:55:25 +0200
Subject: [PATCH] Added example data and tested working successfully locally,
 updated the readme to reflect updates in NeXus defs and call line for
 dataconverter

---
 examples/README.md     |   16 +
 examples/SiO2onSi.nxs  |  Bin 0 -> 192360 bytes
 examples/eln_data.yaml |   69 +
 examples/test-data.dat | 9795 ++++++++++++++++++++++++++++++++++++++++
 4 files changed, 9880 insertions(+)
 create mode 100644 examples/README.md
 create mode 100644 examples/SiO2onSi.nxs
 create mode 100644 examples/eln_data.yaml
 create mode 100644 examples/test-data.dat

diff --git a/examples/README.md b/examples/README.md
new file mode 100644
index 0000000..3f55c70
--- /dev/null
+++ b/examples/README.md
@@ -0,0 +1,16 @@
+# What is NXellipsometry?
+
+The [NXellipsometry](https://fairmat-nfdi.github.io/nexus_definitions/classes/contributed_definitions/NXellipsometry.html#nxellipsometry) NeXus application definition is a standard for converting ellipsometry data to make it FAIR.
+
+# How to use it?
+
+Navigate to the examples directory. Therein, execute the following command
+which instructs the `ellips` reader to convert the example data using the `NXellipsometry` NeXus application definition resulting in a NeXus/HDF5 file:
+
+```shell
+dataconverter --reader ellips --nxdl NXellipsometry eln_data.yaml --output SiO2onSi.nxs
+```
+
+# Are there detailed examples?
+
+Yes, [here](https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/-/tree/develop/docker/ellips) you can find an exhaustive example how to use `pynxtools` for your ellipsometry research data pipeline.
diff --git a/examples/SiO2onSi.nxs b/examples/SiO2onSi.nxs
new file mode 100644
index 0000000000000000000000000000000000000000..54d9f70101a90129770f8bc3cde853030f0d4535
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literal 0
HcmV?d00001

diff --git a/examples/eln_data.yaml b/examples/eln_data.yaml
new file mode 100644
index 0000000..f20f758
--- /dev/null
+++ b/examples/eln_data.yaml
@@ -0,0 +1,69 @@
+Data:
+  data_identifier: 1
+  data_software: WVASE
+  data_software/@url: https://www.jawoollam.com/ellipsometry-software/wvase
+  data_software/version: '3.882'
+  data_type: Psi/Delta
+  spectrum_type: wavelength
+  spectrum_unit: angstrom
+Instrument:
+  Beam_path:
+    Detector:
+      count_time:
+        unit: s
+        value: 1.0
+      detector_type: CCD spectrometer
+    focussing_probes:
+      angular_spread:
+        unit: rad
+        value: 0.2
+      data_correction: false
+    light_source:
+      source_type: arc lamp
+    rotating_element:
+      revolutions: 50.0
+  Sample_stage:
+    environment_conditions:
+      medium: air
+    stage_type: manual stage
+  angle_of_incidence/@unit: degrees
+  calibration_status: no calibration
+  company: J. A. Woollam Co.
+  ellipsometer_type: dual compensator
+  model: RC2
+  model/@version: 0.0.1
+  rotating_element_type: compensator (source side)
+  software: CompleteEASE
+  software/@url: https://www.jawoollam.com/ellipsometry-software/completeease
+  software/version: '6.37'
+Sample:
+  atom_types: Si, O
+  backside_roughness: false
+  chemical_formula: SiO2
+  layer_structure: 2nm SiO2 on Si
+  sample_history: Commercially purchased sample
+  sample_name: 2nm SiO2 on Si
+  sample_type: multi layer
+  substrate: Si
+User:
+  address: Zum Großen Windkanal 2, 12489 Berlin, Germany
+  affiliation: Humboldt-Universität zu Berlin
+  email: surname.name@physik.hu-berlin.de
+  name: Name Surname
+colnames:
+- type
+- wavelength
+- angle_of_incidence
+- Psi
+- Delta
+- err.Psi
+- err.Delta
+derived_parameter_type: depolarization
+experiment_description: RC2 scan on 2nm SiO2 on Si in air
+experiment_identifier: exp-ID
+experiment_type: NIR-Vis-UV spectroscopic ellipsometry
+filename: test-data.dat
+plot_name: Psi and Delta
+sep: \t
+skip: 3
+start_time: '2022-01-27T03:35:00+00:00'
\ No newline at end of file
diff --git a/examples/test-data.dat b/examples/test-data.dat
new file mode 100644
index 0000000..2118714
--- /dev/null
+++ b/examples/test-data.dat
@@ -0,0 +1,9795 @@
+2nm SiO2 on Si on RC2
+VASEmethod[EllipsometerType=4 , CompleteEASE=6.37, AcqTime=15.000, ZoneAve=1, Acq. Parameters=DEFAULT.parms,WinCorrected=1]
+Angstroms
+E	1930.000000	50.000000	40.014217	142.127655	0.008585	0.034774
+E	1940.000000	50.000000	40.026409	142.307449	0.007827	0.031627
+E	1950.000000	50.000000	40.031204	142.483231	0.007221	0.029106
+E	1960.000000	50.000000	40.045902	142.679901	0.006813	0.027399
+E	1970.000000	50.000000	40.065468	142.866608	0.006478	0.025995
+E	1980.000000	50.000000	40.077728	143.102463	0.006224	0.024925
+E	1990.000000	50.000000	40.080673	143.409317	0.006016	0.024045
+E	2000.000000	50.000000	40.082367	143.746017	0.005829	0.023258
+E	2010.000000	50.000000	40.072388	143.990952	0.005649	0.022496
+E	2020.000000	50.000000	40.073170	144.279099	0.005475	0.021767
+E	2030.000000	50.000000	40.069405	144.611435	0.005311	0.021084
+E	2040.000000	50.000000	40.066757	144.883820	0.005150	0.020417
+E	2050.000000	50.000000	40.061028	145.150055	0.004993	0.019760
+E	2060.000000	50.000000	40.055706	145.396118	0.004843	0.019128
+E	2070.000000	50.000000	40.036533	145.661514	0.004703	0.018531
+E	2080.000000	50.000000	40.017166	145.896454	0.004572	0.017967
+E	2090.000000	50.000000	40.025864	146.114670	0.004443	0.017414
+E	2100.000000	50.000000	40.028156	146.370560	0.004322	0.016892
+E	2110.000000	50.000000	40.012478	146.607407	0.004227	0.016464
+E	2120.000000	50.000000	40.007420	146.799438	0.004136	0.016055
+E	2130.000000	50.000000	40.005928	147.055832	0.004045	0.015653
+E	2140.000000	50.000000	40.001190	147.294281	0.003968	0.015308
+E	2150.000000	50.000000	39.999153	147.531891	0.003896	0.014983
+E	2160.000000	50.000000	39.998287	147.757156	0.003830	0.014690
+E	2170.000000	50.000000	39.997860	147.958969	0.003769	0.014416
+E	2180.000000	50.000000	40.001450	148.183533	0.003709	0.014154
+E	2190.000000	50.000000	39.995445	148.426010	0.003648	0.013888
+E	2200.000000	50.000000	39.998291	148.655228	0.003589	0.013635
+E	2210.000000	50.000000	39.994427	148.901932	0.003533	0.013393
+E	2220.000000	50.000000	39.996326	149.173447	0.003476	0.013150
+E	2230.000000	50.000000	40.008663	149.415985	0.003422	0.012924
+E	2240.000000	50.000000	39.993584	149.634827	0.003373	0.012715
+E	2250.000000	50.000000	39.976269	149.894104	0.003326	0.012516
+E	2260.000000	50.000000	39.961422	150.199326	0.003285	0.012341
+E	2270.000000	50.000000	39.936958	150.453156	0.003245	0.012170
+E	2280.000000	50.000000	39.887856	150.692032	0.003205	0.012001
+E	2290.000000	50.000000	39.843830	150.939880	0.003166	0.011832
+E	2300.000000	50.000000	39.790047	151.197968	0.003131	0.011682
+E	2310.000000	50.000000	39.718216	151.398865	0.003097	0.011536
+E	2320.000000	50.000000	39.650379	151.570877	0.003065	0.011396
+E	2330.000000	50.000000	39.578545	151.704727	0.003040	0.011282
+E	2340.000000	50.000000	39.516590	151.776459	0.003016	0.011177
+E	2350.000000	50.000000	39.465984	151.847092	0.002991	0.011067
+E	2360.000000	50.000000	39.431660	151.908035	0.002969	0.010968
+E	2370.000000	50.000000	39.422081	151.941544	0.002946	0.010871
+E	2380.000000	50.000000	39.417023	151.982651	0.002923	0.010774
+E	2390.000000	50.000000	39.422253	152.004868	0.002904	0.010696
+E	2400.000000	50.000000	39.452198	152.051620	0.002887	0.010625
+E	2410.000000	50.000000	39.490494	152.132095	0.002870	0.010556
+E	2420.000000	50.000000	39.535706	152.168243	0.002854	0.010491
+E	2430.000000	50.000000	39.580338	152.246582	0.002844	0.010446
+E	2440.000000	50.000000	39.634945	152.360504	0.002832	0.010399
+E	2450.000000	50.000000	39.692410	152.490509	0.002822	0.010354
+E	2460.000000	50.000000	39.755169	152.634766	0.002814	0.010319
+E	2470.000000	50.000000	39.813477	152.760513	0.002807	0.010287
+E	2480.000000	50.000000	39.871521	152.897903	0.002800	0.010256
+E	2490.000000	50.000000	39.936161	153.070190	0.002796	0.010234
+E	2500.000000	50.000000	39.989059	153.222900	0.002794	0.010223
+E	2510.000000	50.000000	40.051128	153.431931	0.002795	0.010219
+E	2520.000000	50.000000	40.117176	153.628113	0.002793	0.010206
+E	2530.000000	50.000000	40.174896	153.816116	0.002795	0.010208
+E	2540.000000	50.000000	40.230507	154.022125	0.002803	0.010232
+E	2550.000000	50.000000	40.291935	154.220810	0.002811	0.010253
+E	2560.000000	50.000000	40.348503	154.457199	0.002821	0.010285
+E	2570.000000	50.000000	40.409046	154.663589	0.002832	0.010321
+E	2580.000000	50.000000	40.468143	154.894424	0.002846	0.010363
+E	2590.000000	50.000000	40.519966	155.147614	0.002861	0.010413
+E	2600.000000	50.000000	40.567379	155.406998	0.002880	0.010475
+E	2610.000000	50.000000	40.617954	155.660889	0.002901	0.010543
+E	2620.000000	50.000000	40.666866	155.911163	0.002922	0.010612
+E	2630.000000	50.000000	40.725704	156.188797	0.002943	0.010685
+E	2640.000000	50.000000	40.780777	156.469666	0.002967	0.010766
+E	2650.000000	50.000000	40.836395	156.748627	0.002995	0.010861
+E	2660.000000	50.000000	40.883255	157.057495	0.003026	0.010967
+E	2670.000000	50.000000	40.922371	157.383133	0.003058	0.011076
+E	2680.000000	50.000000	40.966640	157.706467	0.003089	0.011183
+E	2690.000000	50.000000	40.998135	158.048111	0.003121	0.011288
+E	2700.000000	50.000000	41.032158	158.406967	0.003152	0.011395
+E	2710.000000	50.000000	41.058334	158.775909	0.003188	0.011518
+E	2720.000000	50.000000	41.071541	159.117783	0.003224	0.011640
+E	2730.000000	50.000000	41.081215	159.480453	0.003257	0.011751
+E	2740.000000	50.000000	41.071716	159.856735	0.003293	0.011870
+E	2750.000000	50.000000	41.051399	160.225784	0.003328	0.011986
+E	2760.000000	50.000000	41.031219	160.599701	0.003365	0.012111
+E	2770.000000	50.000000	40.996609	160.953598	0.003414	0.012274
+E	2780.000000	50.000000	40.965870	161.285217	0.003444	0.012370
+E	2790.000000	50.000000	40.932110	161.638748	0.003470	0.012452
+E	2800.000000	50.000000	40.886234	161.993454	0.003500	0.012548
+E	2810.000000	50.000000	40.836842	162.321747	0.003534	0.012659
+E	2820.000000	50.000000	40.789928	162.643646	0.003571	0.012779
+E	2830.000000	50.000000	40.746315	162.951172	0.003610	0.012905
+E	2840.000000	50.000000	40.697300	163.257889	0.003643	0.013011
+E	2850.000000	50.000000	40.641205	163.590118	0.003685	0.013151
+E	2860.000000	50.000000	40.589268	163.929962	0.003729	0.013293
+E	2870.000000	50.000000	40.521923	164.278595	0.003769	0.013421
+E	2880.000000	50.000000	40.420925	164.634720	0.003817	0.013577
+E	2890.000000	50.000000	40.328045	164.954636	0.003873	0.013757
+E	2900.000000	50.000000	40.215271	165.289719	0.003929	0.013941
+E	2910.000000	50.000000	40.085327	165.590683	0.003987	0.014125
+E	2920.000000	50.000000	39.949558	165.848618	0.004047	0.014318
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\ No newline at end of file