From 9f695a1a87f417adb03eacd42d2da70df296f142 Mon Sep 17 00:00:00 2001 From: e3fm8 <wolf.widdra@physik.uni-halle.de> Date: Wed, 2 Dec 2020 22:16:21 +0100 Subject: [PATCH] added reading of individual scans --- Examples/data/JB202.000 | 1880 +++++++++++++++++++++++++++++++++++++++ Examples/data/JB202.001 | 1880 +++++++++++++++++++++++++++++++++++++++ Examples/data/JB202.002 | 1880 +++++++++++++++++++++++++++++++++++++++ Examples/data/JB202.003 | 1880 +++++++++++++++++++++++++++++++++++++++ Examples/data/JB202.004 | 1880 +++++++++++++++++++++++++++++++++++++++ Examples/data/JB202.005 | 1880 +++++++++++++++++++++++++++++++++++++++ Examples/data/JB202.006 | 1880 +++++++++++++++++++++++++++++++++++++++ Examples/data/JB202.007 | 1880 +++++++++++++++++++++++++++++++++++++++ Examples/data/JB202.008 | 1880 +++++++++++++++++++++++++++++++++++++++ Examples/data/JB202.009 | 1880 +++++++++++++++++++++++++++++++++++++++ Examples/data/JB202.GPH | 1880 +++++++++++++++++++++++++++++++++++++++ Examples/readScans.png | Bin 0 -> 50953 bytes Examples/readScans.py | 36 + libhreels/HREELS.py | 16 +- pyproject.toml | 76 +- 15 files changed, 20768 insertions(+), 40 deletions(-) create mode 100644 Examples/data/JB202.000 create mode 100644 Examples/data/JB202.001 create mode 100644 Examples/data/JB202.002 create mode 100644 Examples/data/JB202.003 create mode 100644 Examples/data/JB202.004 create mode 100644 Examples/data/JB202.005 create mode 100644 Examples/data/JB202.006 create mode 100644 Examples/data/JB202.007 create mode 100644 Examples/data/JB202.008 create mode 100644 Examples/data/JB202.009 create mode 100644 Examples/data/JB202.GPH create mode 100644 Examples/readScans.png create mode 100644 Examples/readScans.py diff --git a/Examples/data/JB202.000 b/Examples/data/JB202.000 new file mode 100644 index 0000000..f80bb1a --- /dev/null +++ b/Examples/data/JB202.000 @@ -0,0 +1,1880 @@ +%%%%% 001 # General data + 6.10 2.00 DELTA FFFFFDE0 # P-Version, C-Version, Type +02.12.2020 12:46 # Date, Time +%%%%% 010 # Comment + + + + + + + + + + + + + + + + + + + + +%%%%% 018 # +0 # 50V Scan state +%%%%% 002 # Modul data +Kat. 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-5.0215091705 -5.0215091705 -5.2474431992 5.3180408478 0.0001612165 31 -1 -1 FFFFF700 +Rep -1.2324999571 -1.2324999571 -10.9234685898 11.0292186737 0.0003349714 2 -1 -1 FFFFE2C0 +PK -2.1926999092 -2.1926999092 -10.9141559601 11.1900310516 0.0003372831 1 -1 -1 FFFFCE80 +HME -0.7524995804 -0.7524995804 -2.5943999290 4.6251878738 0.0001101622 14 -1 -1 FFFFBA40 +Cht Geh -15.0000000000 -15.0000000000 -16.4459056854 16.6480636597 0.0005049739 37 -1 -1 FFFFEE00 +PKK 0.0000000000 0.0000000000 -99.0000000000 99.0000000000 0.0010000000 -1 -1 -1 FFFFD9C0 +HMA -0.0000050068 -0.0000050068 -5.0000000000 5.0000000000 0.0001099585 -1 -1 -1 FFFFC580 +Mono Mitte 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0010000000 -1 -1 -1 FFFFF940 +Scan coarse 0.0000000000 0.0000000000 -1.3911311626 51.0064392090 0.0007995235 41 -1 -1 FFFFE500 +Passenergy 0.2725000381 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFD0C0 +Kinetic En 5.0230083466 0.0000000000 -500.0000000000 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500.0000000000 0.0010000000 -1 -1 -1 FFFFBC80 +Retard Rat 18.4330558777 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFF040 +Offset -1.0230081081 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFDC00 +B3 norm 0.3777635694 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFC7C0 +B4 norm 0.0407683589 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFFB80 +dB4 norm 0.0105923079 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFE740 +%%%%% 014 # Time Ramp Parameters +0:10:0 # Duration +0:0:0:600 # Step +%%%%% 015 # Measure Modes +0 # scan type +40 # scan index +0 # ramp type type +%%%%% 016 # Formular constants +F1_CON1 0.59600 +F1_CON2 1.00000 +F1_CON3 -0.38000 +F1_CON4 1.00000 +F2_CON1 0.54500 +F2_CON2 1.00000 +F2_CON3 -0.49800 +F3_CON1 0.54500 +F3_CON2 -0.49800 +F4_CON1 0.01730 +F4_CON2 0.37700 +F4_CON3 0.37700 +F4_CON4 0.01730 +F4_CON5 1.00000 +F4_CON6 1.00000 +%%%%% 017 # Measure 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-0.2474837303 -0.2474837303 -2.1015281677 0.1148478091 0.0000337078 29 30 24 FFFFFDC0 +dDA 0.0422483087 0.0422483087 -2.2163760662 2.2163760662 0.0000674156 -1 -1 -1 FFFFE980 +C1 0.6023471355 0.6023471355 -5.2440004349 5.3155498505 0.0001610799 32 33 26 FFFFD540 +dC1 -0.0289900303 -0.0289900303 -10.5595502853 10.5595502853 0.0003221599 32 33 25 FFFFC100 +C3 3.7457909584 3.7457909584 -5.2543592453 5.3085346222 0.0001610490 35 36 28 FFFFF4C0 +dC3 -3.0557994843 -3.0557994843 -10.5628938675 10.5628938675 0.0003220980 35 36 27 FFFFE080 +C2 2.2302911282 2.2302911282 -5.2518939972 5.3111190796 0.0001611788 34 -1 -1 FFFFCC40 +E0 4.0000000000 4.0000000000 -9.2576847076 259.5778198242 0.0041021043 38 -1 -1 0 +delta phi 2.0000000000 2.0000000000 -5.0000000000 5.0000000000 0.0040949672 -1 -1 -1 FFFFEBC0 +Scan fine 0.0000000000 0.0000000000 -0.5422697067 1.2692217827 0.0000276412 40 -1 -1 FFFFD780 +AM -0.7505080700 -0.7505080700 -2.6005969048 4.6468062401 0.0001105866 26 -1 -1 FFFFC340 +Cht Eing. -5.0215091705 -5.0215091705 -5.2474431992 5.3180408478 0.0001612165 31 -1 -1 FFFFF700 +Rep -1.2324999571 -1.2324999571 -10.9234685898 11.0292186737 0.0003349714 2 -1 -1 FFFFE2C0 +PK -2.1926999092 -2.1926999092 -10.9141559601 11.1900310516 0.0003372831 1 -1 -1 FFFFCE80 +HME -0.7524995804 -0.7524995804 -2.5943999290 4.6251878738 0.0001101622 14 -1 -1 FFFFBA40 +Cht Geh -15.0000000000 -15.0000000000 -16.4459056854 16.6480636597 0.0005049739 37 -1 -1 FFFFEE00 +PKK 0.0000000000 0.0000000000 -99.0000000000 99.0000000000 0.0010000000 -1 -1 -1 FFFFD9C0 +HMA -0.0000050068 -0.0000050068 -5.0000000000 5.0000000000 0.0001099585 -1 -1 -1 FFFFC580 +Mono Mitte 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0010000000 -1 -1 -1 FFFFF940 +Scan coarse 0.0000000000 0.0000000000 -1.3911311626 51.0064392090 0.0007995235 41 -1 -1 FFFFE500 +Passenergy 0.2725000381 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFD0C0 +Kinetic En 5.0230083466 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFBC80 +Retard Rat 18.4330558777 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFF040 +Offset -1.0230081081 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFDC00 +B3 norm 0.3777635694 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFC7C0 +B4 norm 0.0407683589 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFFB80 +dB4 norm 0.0105923079 0.0000000000 -500.0000000000 500.0000000000 0.0010000000 -1 -1 -1 FFFFE740 +%%%%% 014 # Time Ramp Parameters +0:10:0 # Duration +0:0:0:600 # Step +%%%%% 015 # Measure Modes +0 # scan type +40 # scan index +0 # ramp type type +%%%%% 016 # Formular constants +F1_CON1 0.59600 +F1_CON2 1.00000 +F1_CON3 -0.38000 +F1_CON4 1.00000 +F2_CON1 0.54500 +F2_CON2 1.00000 +F2_CON3 -0.49800 +F3_CON1 0.54500 +F3_CON2 -0.49800 +F4_CON1 0.01730 +F4_CON2 0.37700 +F4_CON3 0.37700 +F4_CON4 0.01730 +F4_CON5 1.00000 +F4_CON6 1.00000 +%%%%% 017 # Measure Results +FWHM: no results +Peakfinder: no results +%%%%% 019 # +d:\daten\HREELS\LENS\WFW.LEN # Lenscurvename +0 # use lenscurve +0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 # Compensation Line lensType X1 Y1 X2 Y2 XOff YOff Gain +1 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 # Compensation Line lensType X1 Y1 X2 Y2 XOff YOff Gain +2 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 # Compensation Line lensType X1 Y1 X2 Y2 XOff YOff Gain +%%%%% 020 # Measure Global +12-02-2020 12:34:56 # Startzeit +12-02-2020 14:40:58 # Endzeit + 20 # Averageanzahl +10000 # Kanäle +%%%%% 021 # Measure Segment +2 # Number of Segments +129 0.1000000015 -0.0681908354 -0.0433941670 0.0001934882 0.5000000000 # Segmentsize wait start stop inc meastime +705 0.1000000015 -0.0123983333 0.1239833385 0.0001934882 0.5000000000 # Segmentsize wait start stop inc meastime +%%%%% 022 # Measure Data +CH--1 +S 0000 -0.068191 +M 0000 11.363636 +S 0001 -0.067997 +M 0001 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z)<-9GFDXgbq8+y!0s}giXV9BE7pLazEQI1%Oo#Q&)}~+d#HOJU6BAPqtmqYX6=7|J zm>{vUL}2}U6%?+nvf>GdI+Ac-Fl*M5UOyXfR8RI5S=?_CX5#}WuZj%Ce85F8E`gGj zo(dJ%y)iqXhK2^X492wMSJ;rr9?Nx>rbc$jD$6Ep9s>}WKT%8E=>x;TQ}=r~uS_BU zVi}BL%fc_4N^7uBH|hY4PuP(K&TT8CZ1;(YF(0*SR{?y;z;+EMzHsBoBlr|*G`m!Q z59{N*4q(5oDH-PS5NR9MxKFsD^LS_grO<!xKi>LDRDZ-4<^R~0{C}6)W1G9bjCA@t S1}l^Br>S~UrBKQ8`hNi&t7Gf{ literal 0 HcmV?d00001 diff --git a/Examples/readScans.py b/Examples/readScans.py new file mode 100644 index 0000000..a371cbe --- /dev/null +++ b/Examples/readScans.py @@ -0,0 +1,36 @@ +from libhreels import HREELS as hh +import os +import matplotlib.pyplot as plt +import numpy as np + +datapath = "./Examples/data" +sav = "./Examples/data" + +# datapath = "./data" +d = hh.HREELS('JB202', datapath=datapath) +print('Number of full scans is {:2.0f}'.format(d.scans)) + +d0 = hh.HREELS('JB202', datapath=datapath, dataSav=sav, scan=0) +d1 = hh.HREELS('JB202', datapath=datapath, dataSav=sav, scan=1) +d2 = hh.HREELS('JB202', datapath=datapath, dataSav=sav, scan=2) +d3 = hh.HREELS('JB202', datapath=datapath, dataSav=sav, scan=3) +d4 = hh.HREELS('JB202', datapath=datapath, dataSav=sav, scan=4) +d5 = hh.HREELS('JB202', datapath=datapath, dataSav=sav, scan=5) + + +d1.figure() + +d.plot() +d.plot(xmin=40, factor = 10, label='') +d0.plot(xmin=40, factor = 10, color='red', label=d0.filename) +d1.plot(xmin=40, factor = 10, color='green', label=d1.filename) +d2.plot(xmin=40, factor = 10, color='orange', label=d2.filename) +d3.plot(xmin=40, factor = 10, color='black', label=d3.filename) +d4.plot(xmin=40, factor = 10, color='yellow', label=d4.filename) +d5.plot(xmin=40, factor = 10, color='magenta', label=d5.filename) + +plt.text(0.99, 0.01,os.path.basename(__file__), fontsize=10, ha='right', va='bottom', transform=plt.gcf().transFigure) +output_filename = os.path.splitext(__file__)[0] + '.png' +plt.savefig(output_filename) + +plt.show() \ No newline at end of file diff --git a/libhreels/HREELS.py b/libhreels/HREELS.py index cba1bc7..e68634d 100644 --- a/libhreels/HREELS.py +++ b/libhreels/HREELS.py @@ -65,12 +65,20 @@ def HREELS_elog_Dictionary(file, path): class HREELS: """This class handles HREELS data and their plotting. """ path = "\\\\backup-ep3\\BackUp02\\0_experiments\\EELS-PC4\HREELS\\gph_dat\\" + pathSav = "\\\\backup-ep3\\BackUp02\\0_experiments\\EELS-PC4\HREELS\\BATCH\\sav" # path = "./" - def __init__(self, _filename, datapath=path): + def __init__(self, _filename, datapath=path, dataSav=pathSav, scan=-1): global eV2cm eV2cm = 8065.6 self.maxIntensity = 1. - self.datapath = myPath(datapath) + if scan < 0: + self.datapath = myPath(datapath) + else: + self.datapath = myPath(dataSav) + print('Directory {} is used to access individual scans.'.format(dataSav)) + _filename += '.{:03.0f}'.format(scan) + print('File {} is used.'.format(_filename)) + if self.readDataFile(_filename): try: self.getElasticPeak() @@ -131,6 +139,10 @@ class HREELS: match = re.search('^E0 + ([-+]?[0-9]*\.?[0-9]+)',line) if match: self.energy = float(match.group(1)) + match = re.search('(.*)\t#\tSave extension',line) # Number of identicals scans (filename.000, .001, .002 are the related data) + if match: + self.scans = float(match.group(1)) + self.xdata = eV2cm * np.array(xdata, dtype=float) self.ydata = np.array(ydata, dtype=float)/self.timePerChannel diff --git a/pyproject.toml b/pyproject.toml index 1ae022b..811d88e 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,39 +1,39 @@ -[tool.poetry] -name = "libhreels" -version = "1.1.1" -description = "Handling, simulating, and plotting HREELS and Auger spectroscopy data" -authors = ["Wolf Widdra <wolf.widdra@physik.uni-halle.de>"] -include = ["*./libhreels/*"] -exclude = ["./libhreels/eLog*"] -readme = "README.md" -homepage = "https://gitlab.informatik.uni-halle.de/e3fm8/libhreels" - - -[tool.poetry.dependencies] -importlib-metadata = {version = "^1.0", python = "<3.8"} -python = "^3.8" -matplotlib = "^3.2" -scipy = "^1.4" -#elog = {url = "https://github.com/paulscherrerinstitute/py_elog/archive/master.zip"} -requests = "^2.23.0" -argparse = "^1.4.0" -PyQt5 = "^5.13" -numpy = "^1.18.2" -#elog = {url = "https://github.com/paulscherrerinstitute/py_elog/archive/master.zip"} - -[tool.poetry.dev-dependencies] -pytest = "^5.2" - - -[tool.poetry.scripts] -dielectrics = "libhreels.dielectrics:myMain" -calchreels = "libhreels.calcHREELS:myMain" -viewhreelstest = "libhreels.ViewHREELS:myMain" - -[tool.poetry.plugins."gui_scripts"] -viewauger = "libhreels.ViewAuger:myMain" -viewhreels = "libhreels.ViewHREELS:myMain" - -[build-system] -requires = ["poetry>=0.12"] +[tool.poetry] +name = "libhreels" +version = "1.1.2" +description = "Handling, simulating, and plotting HREELS and Auger spectroscopy data" +authors = ["Wolf Widdra <wolf.widdra@physik.uni-halle.de>"] +include = ["*./libhreels/*"] +exclude = ["./libhreels/eLog*"] +readme = "README.md" +homepage = "https://gitlab.informatik.uni-halle.de/e3fm8/libhreels" + + +[tool.poetry.dependencies] +importlib-metadata = {version = "^1.0", python = "<3.8"} +python = "^3.8" +matplotlib = "^3.2" +scipy = "^1.4" +#elog = {url = "https://github.com/paulscherrerinstitute/py_elog/archive/master.zip"} +requests = "^2.23.0" +argparse = "^1.4.0" +PyQt5 = "^5.13" +numpy = "^1.18.2" +#elog = {url = "https://github.com/paulscherrerinstitute/py_elog/archive/master.zip"} + +[tool.poetry.dev-dependencies] +pytest = "^5.2" + + +[tool.poetry.scripts] +dielectrics = "libhreels.dielectrics:myMain" +calchreels = "libhreels.calcHREELS:myMain" +viewhreelstest = "libhreels.ViewHREELS:myMain" + +[tool.poetry.plugins."gui_scripts"] +viewauger = "libhreels.ViewAuger:myMain" +viewhreels = "libhreels.ViewHREELS:myMain" + +[build-system] +requires = ["poetry>=0.12"] build-backend = "poetry.masonry.api" \ No newline at end of file -- GitLab