From d662d3567d2cdc75d4c18b614ee2eda57c1385ec Mon Sep 17 00:00:00 2001 From: rasmusthog Date: Fri, 28 Oct 2022 16:03:06 +0200 Subject: [PATCH] Add function to strip regions from .xy-files --- nafuma/xrd/io.py | 34 ++++++++++++++++++++++++++++++++++ 1 file changed, 34 insertions(+) diff --git a/nafuma/xrd/io.py b/nafuma/xrd/io.py index 30e9ea7..2be187c 100644 --- a/nafuma/xrd/io.py +++ b/nafuma/xrd/io.py @@ -899,3 +899,37 @@ def translate_wavelengths(data: pd.DataFrame, wavelength: float, to_wavelength=N +def trim_xy_region(path, region): + + df = pd.read_csv(path, header=None, delim_whitespace=True) + df.columns = ['2th', 'I'] + + df = df.loc[(df['2th'] > region[0]) & (df['2th'] < region[1])] + + folder = os.path.dirname(path) + save_folder = os.path.join(folder, 'trimmed') + + if not os.path.exists(save_folder): + os.makedirs(save_folder) + + df.to_csv(os.path.join(save_folder, os.path.basename(path)), sep='\t', header=None, index=None) + + +def raise_intensities_xy(path, region=None): + + df = pd.read_csv(path, header=None, delim_whitespace=True) + df.columns = ['2th', 'I'] + + if region: + df = df.loc[(df['2th'] > region[0]) & (df['2th'] < region[1])] + + df['I'] = df['I'] - df['I'].min() + + + folder = os.path.dirname(path) + save_folder = os.path.join(folder, 'raised') + + if not os.path.exists(save_folder): + os.makedirs(save_folder) + + df.to_csv(os.path.join(save_folder, os.path.basename(path)), sep='\t', header=None, index=None) \ No newline at end of file