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jupytext: |
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formats: md:myst |
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text_representation: |
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display_name: Python 3 |
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language: python |
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name: python3 |
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--- |
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# The tutorial 8th |
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Describes how PyXplore processes X-ray photoelectron spectroscopy (XPS) data. |
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## coding |
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> **1. Save your XPS data to the root directory and rename the file to `int.csv`.** |
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```{code-cell} |
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# import PyXplore package |
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from PyXplore import WPEM |
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import pandas as pd |
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``` |
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> **2. Parse your diffraction data (`bing energy`, intensity) and perform background processing.** |
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```{code-cell} |
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intensity_csv = pd.read_csv(r'int.csv',header=None ) |
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var = WPEM.BackgroundFit(intensity_csv,segement=[[910,931],[948,952],[958,959],[966,970]],bac_num=120,Model='XPS',noise = 0.05,bac_var_type='multivariate gaussian') |
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``` |
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> **3. After running the code, a new folder named `ConvertedDocuments` will be created in the root directory. This folder contains the background information.** |
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> **Copy the two important files — `bac.csv` and `no_bac_intensity.csv` — from `ConvertedDocuments` into the root directory, as they are required for the next steps.** |
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```{seealso} |
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A key difference with XPS is that the initial binding energy needs to be queried and input using two parameters: `AtomIdentifier` and `satellitePeaks`.** |
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``` |
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```{code-cell} |
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AtomIdentifier = [['CuII','2p3/2',933.7,],['CuII','2p1/2',954,],] |
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satellitePeaks = [['CuII', '2p3/2',941.6,],['CuII','2p3/2',943.4],['CuII','2p1/2',962.5,],] |
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# The file name of non-background data |
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no_bac_intensity_file = "no_bac_intensity.csv" |
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# The file name of raw/original data |
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original_file = "int.csv" |
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# The file name of background data |
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bacground_file = "bac.csv" |
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# Execute the model |
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WPEM.XPSfit( |
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var, AtomIdentifier, satellitePeaks,no_bac_intensity_file, original_file, bacground_file, |
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bta = 0.80,iter_max = 50, |
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) |
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``` |
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> **The results are saved in the `XPSFittingProfile` folder.** |
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