From 8ae5707130d597872df467486db09ed54bba74bb Mon Sep 17 00:00:00 2001 From: a_anand Date: Thu, 1 Aug 2024 23:31:01 -0700 Subject: [PATCH] docs updated --- README.md | 25 +- docs/_build/doctrees/environment.pickle | Bin 125808 -> 134913 bytes docs/_build/doctrees/fileformat.doctree | Bin 12367 -> 15136 bytes docs/_build/doctrees/index.doctree | Bin 12287 -> 11708 bytes docs/_build/doctrees/installation.doctree | Bin 6938 -> 12052 bytes docs/_build/doctrees/qsoabsfind.doctree | Bin 280828 -> 312310 bytes docs/_build/html/.buildinfo | 2 +- docs/_build/html/_modules/index.html | 2 +- .../html/_modules/qsoabsfind/absfinder.html | 155 +++++++++--- .../_modules/qsoabsfind/absorberutils.html | 87 ++++--- docs/_build/html/_modules/qsoabsfind/ew.html | 15 +- docs/_build/html/_modules/qsoabsfind/io.html | 22 +- .../qsoabsfind/parallel_convolution.html | 88 ++++--- .../_build/html/_modules/qsoabsfind/spec.html | 28 ++- .../html/_modules/qsoabsfind/utils.html | 74 ++++-- docs/_build/html/_sources/fileformat.rst.txt | 27 ++- docs/_build/html/_sources/index.rst.txt | 30 +-- .../_build/html/_sources/installation.rst.txt | 23 +- docs/_build/html/fileformat.html | 29 ++- docs/_build/html/genindex.html | 16 +- docs/_build/html/index.html | 35 +-- docs/_build/html/installation.html | 27 ++- docs/_build/html/modules.html | 4 +- docs/_build/html/objects.inv | Bin 865 -> 856 bytes docs/_build/html/py-modindex.html | 2 +- docs/_build/html/qsoabsfind.html | 228 ++++++++++++------ docs/_build/html/search.html | 2 +- docs/_build/html/searchindex.js | 2 +- docs/fileformat.rst | 25 +- docs/index.rst | 7 +- docs/installation.rst | 23 +- qsoabsfind/spec.py | 8 +- 32 files changed, 638 insertions(+), 348 deletions(-) diff --git a/README.md b/README.md index ad95a72..4ec59bb 100644 --- a/README.md +++ b/README.md @@ -55,21 +55,34 @@ python -m unittest discover -s tests Instructions ------------- -Before you run, please read the `data/datamodel.rst` file. The instructions about the input and output file are provided there. +Before running the program, please read the `data/datamodel.rst` file. The instructions for the input and output files are provided there. I have also provided an example QSO spectra FITS file, `data/qso_test.fits`, which contains 500 continuum-normalized SDSS QSO spectra. You can use this file to test an example run as described below. Running example: ---------------- ```sh -qsoabsfind --input-fits-file path_to_input_fits_file.fits \ - --n-qso 1-1000:10 \ +qsoabsfind --input-fits-file data/qso_test.fits \ + --n-qso 500 \ --absorber MgII \ - --output path_to_output_fits_file.fits \ - --headers KEY1=VALUE1 KEY2=VALUE2 \ + --output test_MgII.fits \ + --headers SURVEY=SDSS AUTHOR=YOUR_NAME \ --n-tasks 16 \ --ncpus 4 ``` +Useful notes: +------------- + +Parallel mode can be memory-intensive if the input FITS file is large in size. As the code accesses the FITS file to read QSO spectra when running in parallel, it can become a bottleneck for memory, and the code may fail. Currently, I suggest the following: + + - **Divide your file into smaller chunks:** Split the FITS file into several smaller files, each containing approximately `N` spectra. Then run the code on these smaller files. + + - **Use a rule of thumb for file size:** Ensure that the size of each individual file is no larger than `total_memory/ncpu` of your node or system. Based on this idea you can decide your `N`. I would suggest `N = 1000`. + + - **Merge results at the end:** After processing, you can merge your results. + +In order to decide the right size of the FITS file, consider the total available memory and the number of CPUs in your system. + Contribution ------------ @@ -93,4 +106,4 @@ Thanks, Abhijeet Anand Lawrence Berkeley National Lab -If you have any questions/suggestions, please feel free to write to abhijeetanand2011@gmail.com +If you have any questions/suggestions, please feel free to write to abhijeetanand2011@gmail.com or, preferably, open a GitHub issue.. diff --git a/docs/_build/doctrees/environment.pickle b/docs/_build/doctrees/environment.pickle index 77c4be119c0b1735e3f200b82b033f717ba4d8ed..10eecfff99f88f06c23a330ad189b584a71814eb 100644 GIT binary patch literal 134913 zcmeFa37nkQRVV6In=MaBeXe^YzI1`QeE|RSCy)( z%C$&p8Ha=|Rw$A{nw?=MEFtX7z`z5B0S1Oyn8$+|e#3h+FFYXcF~hJAGr*hq|IfMG 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diff --git a/docs/_build/html/_modules/qsoabsfind/absfinder.html b/docs/_build/html/_modules/qsoabsfind/absfinder.html index fb23ccc..fad8e8e 100644 --- a/docs/_build/html/_modules/qsoabsfind/absfinder.html +++ b/docs/_build/html/_modules/qsoabsfind/absfinder.html @@ -73,21 +73,28 @@

Source code for qsoabsfind.absfinder

-import numpy as np
+"""
+This script contains a function to run convolution based absorber finder on a single spectrum.
+"""
+
+import numpy as np
 from functools import reduce
 from operator import add
 from .utils import convolution_fun, vel_dispersion
 from .absorberutils import (
     estimate_local_sigma_conv_array, group_and_weighted_mean_selection_function,
     median_selection_after_combining,
-    remove_Mg_falsely_identified_as_Fe_absorber, z_abs_from_same_metal_absorber,
-    contiguous_pixel_remover, check_error_on_residual, absorber_search_window
+    remove_Mg_falsely_come_from_Fe_absorber, z_abs_from_same_metal_absorber,
+    contiguous_pixel_remover, estimate_snr_for_lines, absorber_search_window
 )
 from .ew import measure_absorber_properties_double_gaussian
-from .config import lines, speed_of_light, oscillator_parameters
+from .config import load_constants
 from .spec import QSOSpecRead
 from numba import jit
 
+constants = load_constants()
+lines, oscillator_parameters, speed_of_light = constants.lines, constants.oscillator_parameters, constants.speed_of_light
+
 

 [docs]
 @jit(nopython=True)
@@ -136,9 +143,82 @@ 
Source code for qsoabsfind.absfinder
     return new_our_z, new_res_arr

 
 
+

+[docs]
+def read_single_spectrum_and_find_absorber(fits_file, spec_index, absorber, **kwargs):
+    """
+    This function retrieves a single QSO spectrum from a FITS file, processes the data to remove NaNs,
+    and prepares the spectrum for absorber search within specified wavelength regions
+    and runs the convolution based adaptive S/N method to detect absorbers in the spectrum.
+
+    Args:
+        fits_file (str): Path to the FITS file containing normalized QSO spectra.
+                         The file must include extensions for FLUX, ERROR, WAVELENGTH
+                         and METADATA which must contain keyword Z_QSO.
+        spec_index (int): Index of the quasar spectrum to retrieve from the FITS file.
+        absorber (str): Name of the absorber to search for (e.g., 'MgII', 'CIV').
+        kwargs (dictionary): search parameters used in convolution_method_absorber_finder_in_QSO_spectra()
+
+    Returns:
+        tuple: Contains lists of various parameters related to detected absorbers.
+            - index (list): QSO spec index searched
+            - zabs (list of floats): redshifts of absorbers detected
+            - params (list of arrays): gaussian fit parameters for each absorber
+            - errror params (list of arrays): errors on gaussian fit parameters for each absorber
+            - EW1 (list of floats): Equivalent width of line 1 for each absorber
+            - EW2 (list of floats): Equivalent width of line 2 for each absorber
+            - EW total (list of floats): Total Equivalent width of line 1 and line 2 for each absorber
+            - errors EW1 (list of floats): errors on Equivalent width of line 1 for each absorber
+            - errors EW2 (list of floats): errors on Equivalent width of line 2 for each absorber
+            - errors EW total (list of floats): errors on Total Equivalent width of line 1 and line 2 for each absorber
+
+    Raises:
+        AssertionError: If the sizes of `lam_search`, `unmsk_residual`, and `unmsk_error` do not match.
+
+    Notes:
+        - This function assumes that the input spectra are already normalized (i.e., flux divided by continuum).
+        - The wavelength search region is determined dynamically based on the observed wavelength range.
+    """
+
+    # Read the specified QSO spectrum from the FITS file
+    spectra = QSOSpecRead(fits_file, spec_index)
+    z_qso = spectra.metadata['Z_QSO']
+    lam_obs = spectra.wavelength
+
+    # Define the wavelength range for searching the absorber
+    min_wave, max_wave = lam_obs.min() + 500, lam_obs.max() - 500
+
+    # Retrieve flux and error data, ensuring consistent dtype for Numba compatibility
+    residual, error = spectra.flux.astype('float64'), spectra.error.astype('float64')
+    lam_obs = lam_obs.astype('float64')
+
+    # Remove NaN values from the arrays
+    non_nan_indices = ~np.isnan(residual)
+    lam_obs, residual, error = lam_obs[non_nan_indices], residual[non_nan_indices], error[non_nan_indices]
+
+    # Identify the wavelength region for searching the specified absorber
+    lam_search, unmsk_residual, unmsk_error = absorber_search_window(
+        lam_obs, residual, error, z_qso, absorber, min_wave, max_wave, verbose=kwargs['verbose'])
+
+    # Verify that the arrays are of equal size
+    assert lam_search.size == unmsk_residual.size == unmsk_error.size, "Mismatch in array sizes of lam_search, unmsk_residual, and unmsk_error"
+
+    # Print progress for every 5000th spectrum processed
+    if spec_index % 5000 == 0:
+        print(f'Detection finished up to spec index = {spec_index}', flush=True)
+
+
+    (index_spec, pure_z_abs, pure_gauss_fit, pure_gauss_fit_std, pure_ew_first_line_mean, pure_ew_second_line_mean, pure_ew_total_mean, pure_ew_first_line_error, pure_ew_second_line_error, pure_ew_total_error, redshift_err, sn1_all, sn2_all) = convolution_method_absorber_finder_in_QSO_spectra(spec_index, absorber, lam_obs, residual, error, lam_search, unmsk_residual, unmsk_error, **kwargs)
+
+    return (index_spec, pure_z_abs, pure_gauss_fit, pure_gauss_fit_std, pure_ew_first_line_mean, pure_ew_second_line_mean, pure_ew_total_mean, pure_ew_first_line_error, pure_ew_second_line_error, pure_ew_total_error, redshift_err, sn1_all, sn2_all)

+
+
+
 

 [docs]
-def convolution_method_absorber_finder_in_QSO_spectra(fits_file, spec_index, absorber='MgII', ker_width_pixels=[3, 4, 5, 6, 7, 8], coeff_sigma=2.5, mult_resi=1, d_pix=0.6, pm_pixel=200, sn_line1=3, sn_line2=2, use_covariance=False, logwave=True):
+def convolution_method_absorber_finder_in_QSO_spectra(spec_index, absorber='MgII', lam_obs=None, residual=None, error=None,
+lam_search=None, unmsk_residual=None, unmsk_error=None, ker_width_pixels=[3, 4, 5, 6, 7, 8], coeff_sigma=2.5,
+mult_resi=1, d_pix=0.6, pm_pixel=200, sn_line1=3, sn_line2=2, use_covariance=False, logwave=True, verbose=False):
     """
     Detect absorbers with doublet properties in SDSS quasar spectra using a
     convolution method. This function identifies potential absorbers based on
@@ -147,21 +227,37 @@ 
Source code for qsoabsfind.absfinder
     the redshifts, EWs, and fitting parameters.
 
     Args:
-        fits_file (str): Path to the FITS file containing Normalized QSO spectra (i.e. flux/continuum), must contain FLUX, ERROR (i.e. error/continuum), WAVELENGTH, and TGTDETAILS extensions. In TGTDETAILS, must contain keywords like RA_QSO, DEC_QSO, Z_QSO.
-        spec_index (int): Index of quasar in the spectra matrix.
+        spec_index (int): Index of quasar in the spectra 2D array.
         absorber (str): Absorber name for searching doublets (MgII, CIV). Default is 'MgII'.
+        lam_obs (numpy.array): observed wavelength array.
+        residual (numpy.array): residual (i.e. flux/continuum) array
+        error (numpy.array): error on residuals
+        lam_search (numpy.array): search observed wavelength array (i.e. region where absorber will be looked for).
+        unmsk_residual (numpy.array): search residual array (residuals at search wavelength pixels)
+        unmsk_error (numpy.array): error on residuals array in search wavelength region
         ker_width_pix (list): List of kernel widths in pixels. Default is [3, 4, 5, 6, 7, 8].
         coeff_sigma (float): Coefficient for sigma to apply threshold in the convolved array. Default is 2.5.
         mult_resi (float): Factor to shift the residual up or down. Default is 1.
         d_pix (float): Pixel distance for line separation during Gaussian fitting. Default is 0.6.
         pm_pixel (int): Pixel parameter for local noise estimation (default 200).
-        sn_line1 (float): Signal-to-noise ratio for thresholding for line1.
-        sn_line2 (float): Signal-to-noise ratio for thresholding for line2.
+        sn_line1 (float): Signal-to-noise ratio for thresholding for line1 (default 3).
+        sn_line2 (float): Signal-to-noise ratio for thresholding for line2 (default 3).
         use_covariance (bool): if want to use full covariance of scipy curvey_fit for EW error calculation (default is False)
-        logwave (bool): if wavelength on log scale
+        logwave (bool): if wavelength on log scale (default True for SDSS)
+        verbose (bool): if want to print a lot of outputs for debugging (default False)
 
     Returns:
         tuple: Contains lists of various parameters related to detected absorbers.
+            - index (list): QSO spec index searched
+            - zabs (list): redshifts of absorbers detected
+            - params (list of arrays): gaussian fit parameters for each absorber
+            - errror params (list of arrays): errors on gaussian fit parameters for each absorber
+            - EW1 (list): Equivalent width of line 1 for each absorber
+            - EW2 (list): Equivalent width of line 2 for each absorber
+            - EW total (list): Total Equivalent width of line 1 and line 2 for each absorber
+            - errors EW1 (list): errors on Equivalent width of line 1 for each absorber
+            - errors EW2 (list): errors on Equivalent width of line 2 for each absorber
+            - errors EW total (list): errors on Total Equivalent width of line 1 and line 2 for each absorber
     """
 
     # Constants
@@ -174,11 +270,6 @@ 
Source code for qsoabsfind.absfinder
     else:
         raise ValueError(f"No support for {absorber}, only supports MgII and CIV")
 
-    spectra = QSOSpecRead(fits_file, spec_index)
-    z_qso = spectra.tgtdetails['Z_QSO']
-    lam_obs = spectra.wavelength
-    min_wave, max_wave = lam_obs.min() + 500, lam_obs.max() - 500
-
     line_sep = line2 - line1
     resolution = 69  # km/s for SDSS or DESI
 
@@ -189,23 +280,6 @@ 
Source code for qsoabsfind.absfinder
     bound = ((np.array([2e-2, line1 - bd_ct * d_pix, del_sigma-0.1, 2e-2, line2 - bd_ct * d_pix, del_sigma-0.1])),
              (np.array([1.11, line1 + bd_ct * d_pix, x_sep * del_sigma, 1.11, line2 + bd_ct * d_pix, x_sep * del_sigma])))
 
-    # Print progress
-    if spec_index % 5000 == 0:
-        print(f'Detection finished up to spec index = {spec_index}', flush=True)
-
-    # Retrieve quasar data
-    residual, error = spectra.flux, spectra.error
-    lam_obs, residual, error = lam_obs.astype('float64'), residual.astype('float64'), error.astype('float64') # to  make consistent with numba dtype
-    ind_nonan = ~np.isnan(residual)
-    residual, error = residual[ind_nonan], error[ind_nonan]
-    lam_obs = lam_obs[ind_nonan]
-
-    lam_search, unmsk_residual, unmsk_error = absorber_search_window(
-        lam_obs, residual, error, z_qso, absorber, min_wave, max_wave, verbose=False)
-
-    # Assert that the sizes of the arrays are equal
-    assert lam_search.size == unmsk_residual.size == unmsk_error.size, "Mismatch in array sizes of lam_search, unmsk_residual and unmsk_error"
-
     # Kernel width computation
     width_kernel = np.array([ker * resolution * ((f1 * line1 + f2 * line2) / (f1 + f2)) / (speed_of_light * 2.35) for ker in ker_width_pixels])
 
@@ -219,7 +293,6 @@ 
Source code for qsoabsfind.absfinder
             sigma_cr = estimate_local_sigma_conv_array(conv_arr, pm_pixel=pm_pixel)
             thr = np.nanmedian(conv_arr) - coeff_sigma * sigma_cr
 
-
             conv_arr[np.isnan(conv_arr)] = 1e5
             our_z_ind = conv_arr < thr
             conv_arr[conv_arr == 1e5] = np.nan
@@ -266,7 +339,7 @@ 
Source code for qsoabsfind.absfinder
                     lower_del_lam = line_sep - d_pix
                     upper_del_lam = line_sep + d_pix
 
-                    _, _, fit_param_temp, fit_param_std_temp, EW_first_temp_mean, EW_second_temp_mean, EW_total_temp_mean, EW_first_error_temp, EW_second_error_temp, EW_total_error_temp = measure_absorber_properties_double_gaussian(
+                    z_new, z_new_error, fit_param_temp, fit_param_std_temp, EW_first_temp_mean, EW_second_temp_mean, EW_total_temp_mean, EW_first_error_temp, EW_second_error_temp, EW_total_error_temp = measure_absorber_properties_double_gaussian(
                         index=spec_index, wavelength=lam_obs, flux=residual, error=error, absorber_redshift=[z_abs[m]], bound=bound, use_kernel=absorber, d_pix=d_pix)
 
                     if len(fit_param_temp[0]) > 0 and not np.all(np.isnan(fit_param_temp[0])):
@@ -275,12 +348,12 @@ 
Source code for qsoabsfind.absfinder
                         c0 = gaussian_parameters[1]
                         c1 = gaussian_parameters[4]
                         #S/N estimation
-                        sn1, sn2 = check_error_on_residual(c0, c1, lam_rest, residual, error, logwave)
+                        sn1, sn2 = estimate_snr_for_lines(c0, c1, lam_rest, residual, error, logwave)
                         # resolution corrected velocity dispersion (should be greater than 0)
                         vel1, vel2 = vel_dispersion(c0, c1, gaussian_parameters[2], gaussian_parameters[5], resolution)
 
                         if (gaussian_parameters > bound[0] + 0.01).all() and (gaussian_parameters < bound[1] - 0.01).all() and lower_del_lam <= c1 - c0 <= upper_del_lam and sn1 > sn_line1 and sn2 > sn_line2 and vel1 > 0 and vel2 > 0:
-                            pure_z_abs[m] = z_abs[m]
+                            pure_z_abs[m] = z_new
                             pure_gauss_fit[m] = fit_param_temp[0]
                             pure_gauss_fit_std[m] = fit_param_std_temp[0]
                             pure_ew_first_line_mean[m] = EW_first_temp_mean[0]
@@ -289,7 +362,7 @@ 
Source code for qsoabsfind.absfinder
                             pure_ew_first_line_error[m] = EW_first_error_temp[0]
                             pure_ew_second_line_error[m] = EW_second_error_temp[0]
                             pure_ew_total_error[m] = EW_total_error_temp[0]
-                            redshift_err[m] = z_err[m]
+                            redshift_err[m] = z_new_error
                             sn1_all[m] = sn1
                             sn2_all[m] = sn2
 
@@ -309,10 +382,10 @@ 
Source code for qsoabsfind.absfinder
             sn2_all = sn2_all[valid_indices]
             if len(pure_z_abs) > 0:
                 if absorber=='MgII':
-                    match_abs1 = remove_Mg_falsely_identified_as_Fe_absorber(spec_index, pure_z_abs, lam_obs, residual, error, d_pix=d_pix)
+                    match_abs1 = remove_Mg_falsely_come_from_Fe_absorber(spec_index, pure_z_abs, lam_obs, residual, error, d_pix, logwave)
                 else:
                     match_abs1 = -1*np.ones(len(pure_z_abs))
-                match_abs2 = z_abs_from_same_metal_absorber(pure_z_abs, lam_obs, residual, error, d_pix, use_kernel=absorber)
+                match_abs2 = z_abs_from_same_metal_absorber(pure_z_abs, lam_obs, residual, error, d_pix, absorber, logwave)
                 ind_z = contiguous_pixel_remover(pure_z_abs, sn1_all, sn2_all)
                 sel_indices = (match_abs1 == -1) & (match_abs2 == -1) & (ind_z == -1)  # pure final absorber candidates
 
@@ -355,7 +428,9 @@ 
Source code for qsoabsfind.absfinder
   

 
   

-    
© Copyright .

+    
© Copyright 2021-2024, Abhijeet Anand.
+      Last updated on 2024-08-01 23:18:45.166774.
+      

   

 
   Built with Sphinx using a
diff --git a/docs/_build/html/_modules/qsoabsfind/absorberutils.html b/docs/_build/html/_modules/qsoabsfind/absorberutils.html
index ec309a6..27157d0 100644
--- a/docs/_build/html/_modules/qsoabsfind/absorberutils.html
+++ b/docs/_build/html/_modules/qsoabsfind/absorberutils.html
@@ -78,10 +78,13 @@ 
Source code for qsoabsfind.absorberutils
 """
 
 import numpy as np
-from .config import speed_of_light, lines
+from .config import load_constants
 from .utils import elapsed
 from numba import jit
 
+constants = load_constants()
+lines, speed_of_light = constants.lines, constants.speed_of_light
+
 

 [docs]
 @jit(nopython=True)
@@ -109,12 +112,12 @@ 
Source code for qsoabsfind.absorberutils
     return sigma_cr

 
 
-

-[docs]
+

+[docs]
 @jit(nopython=True)
-def check_error_on_residual(l1, l2, lam_rest, residual, error, log):
+def estimate_snr_for_lines(l1, l2, lam_rest, residual, error, log):
     """
-    Check the error on residuals around specified wavelengths.
+    Estimate S/N of the doublet lines.
 
     Args:
         l1 (float): First wavelength to check around.
@@ -168,40 +171,49 @@ 
Source code for qsoabsfind.absorberutils
 
 

 [docs]
-@jit(nopython=False)
 def group_contiguous_pixel(data, resi, avg):
     """
-    Arrange data into groups where successive elements differ by less than a
-    given average difference.
+    Arrange data into groups where successive elements differ by less than the average difference.
 
     Args:
-        data (numpy.ndarray): Array of absorber values for each spectrum.
-        resi (numpy.ndarray): Corresponding residual values.
-        avg (float): Average difference threshold for grouping contiguous pixels.
+        data (np.ndarray): List of absorbers for each spectrum.
+        resi (np.ndarray): Corresponding residual.
+        avg (float): Maximum allowed difference to group data.
 
     Returns:
-        tuple: A tuple containing:
-            - list of grouped data
-            - list of grouped residuals
+        tuple: Final list with contiguous pixels grouped, and corresponding residuals if provided.
     """
+    # Check if resi is provided as an array
+    if resi is not None:
+        has_residuals = True
+    else:
+        has_residuals = False
+
+    # Sort the input data
     ind_srt = np.argsort(data)
     sorted_data = data[ind_srt]
-    sorted_resi = resi[ind_srt] if isinstance(resi, np.ndarray) else None
 
-    groups = [[sorted_data[0]]]
-    resi_groups = [[sorted_resi[0]]] if sorted_resi is not None else None
+    if has_residuals:
+        sorted_resi = resi[ind_srt]
+
+    groups = []
+    resi_groups = []
+
+    groups.append([sorted_data[0]])
+    if has_residuals:
+        resi_groups.append([sorted_resi[0]])
 
     for i in range(1, len(sorted_data)):
         if sorted_data[i] - groups[-1][-1] < avg:
             groups[-1].append(sorted_data[i])
-            if resi_groups is not None:
+            if has_residuals:
                 resi_groups[-1].append(sorted_resi[i])
         else:
             groups.append([sorted_data[i]])
-            if resi_groups is not None:
+            if has_residuals:
                 resi_groups.append([sorted_resi[i]])
 
-    if resi_groups is not None:
+    if has_residuals:
         return groups, resi_groups
     else:
         return groups

@@ -316,13 +328,12 @@ 
Source code for qsoabsfind.absorberutils
 
 
 #@jit(nopython=False)
-

-[docs]
-def remove_Mg_falsely_identified_as_Fe_absorber(index, z_after_grouping, lam_obs, residual, error, d_pix):
+

+[docs]
+def remove_Mg_falsely_come_from_Fe_absorber(index, z_after_grouping, lam_obs, residual, error, d_pix, logwave):
     """
-    Remove any absorber that arises due to Fe 2586, 2600 or vice-versa case
-    of 2796, 2803 when using Fe kernel line but has already been detected for
-    the 2796 line, i.e., false positive due to Fe lines.
+    Remove any MgII absorber that arises falsley due to Fe 2586, 2600 doublet,
+    i.e., false positive due to Fe lines.
 
     Args:
         z_after_grouping (list): List of absorbers after grouping.
@@ -330,6 +341,7 @@ 
Source code for qsoabsfind.absorberutils
         residual (numpy.ndarray): Residual values.
         error (numpy.ndarray): Error values corresponding to the residuals.
         d_pix (float): Delta pixel value.
+        logwave (bool): if wavelength on log scale (default True for SDSS)
 
     Returns:
         numpy.ndarray: Updated list of absorbers with false positives removed.
@@ -367,10 +379,10 @@ 
Source code for qsoabsfind.absorberutils
 
                 if n_new > 0:
                     lam_rest = lam_obs / (1 + z[p])
-                    sn_fe1, sn_fe2 = check_error_on_residual(fe1, fe2, lam_rest, residual, error)
+                    sn_fe1, sn_fe2 = estimate_snr_for_lines(fe1, fe2, lam_rest, residual, error, logwave)
                     for k in range(n_new):
                         lam_rest = lam_obs / (1 + z[ind_fin[k]])
-                        sn_mg1, sn_mg2 = check_error_on_residual(mg1, mg2, lam_rest, residual, error)
+                        sn_mg1, sn_mg2 = estimate_snr_for_lines(mg1, mg2, lam_rest, residual, error, logwave)
                         if (sn_fe1 > sn_mg1) or (sn_fe1 > sn_mg2) or (sn_fe2 > sn_mg1) or (sn_fe2 > sn_mg2):
                             match_abs[ind_fin[k]] = 1  # False positive MgII absorber due to FeII lines
                         else:
@@ -388,10 +400,10 @@ 
Source code for qsoabsfind.absorberutils
 #@jit(nopython=False)
 

 [docs]
-def z_abs_from_same_metal_absorber(first_list_z, lam_obs, residual, error, d_pix=0.6, use_kernel='MgII'):
+def z_abs_from_same_metal_absorber(first_list_z, lam_obs, residual, error, d_pix=0.6, use_kernel='MgII', logwave=None):
     """
-    Remove any absorber that arises due to the 2803 line but has already
-    been detected for the 2796 line, exploiting the doublet property of MgII to
+    Remove any absorber that arises due to the MgII2803 or CIV1550 line but has already
+    been detected for the MgII2796 or CIV1548 line, exploiting the doublet property of MgII/CIV to
     remove false positives.
 
     Args:
@@ -401,6 +413,7 @@ 
Source code for qsoabsfind.absorberutils
         error (numpy.ndarray): Error values corresponding to the residuals.
         d_pix (float): Pixel distance for line separation during Gaussian fitting. Default is 0.6.
         use_kernel (str, optional): Kernel type (MgII, CIV). Default is 'MgII'.
+        logwave (bool): if wavelength bins are on log scale
 
     Returns:
         numpy.ndarray: Updated list of absorbers with false positives removed.
@@ -426,11 +439,11 @@ 
Source code for qsoabsfind.absorberutils
 
                 if ind_del.size > 0:
                     lam_rest = lam_obs / (1 + z[p])
-                    sn_mg0, _ = check_error_on_residual(mg1, mg2, lam_rest, residual, error)
+                    sn_mg0, _ = estimate_snr_for_lines(mg1, mg2, lam_rest, residual, error, logwave)
 
                     for k in ind_del:
                         lam_rest1 = lam_obs / (1 + z[k])
-                        sn_mg1, _ = check_error_on_residual(mg1, mg2, lam_rest1, residual, error)
+                        sn_mg1, _ = estimate_snr_for_lines(mg1, mg2, lam_rest1, residual, error, logwave)
 
                         if sn_mg0 > sn_mg1:
                             match_abs[k] = 1  # Matched within limits, not true absorbers
@@ -511,8 +524,8 @@ 
Source code for qsoabsfind.absorberutils
     z1 = (fitted_obs_l1 / line1) - 1
     z2 = (fitted_obs_l2 / line2) - 1
 
-    err1 = (std_fitted_obs_l1 / line1) * z1
-    err2 = (std_fitted_obs_l2 / line2) * z2
+    err1 = (std_fitted_obs_l1 / line1)
+    err2 = (std_fitted_obs_l2 / line2)
 
     z_corr = 0.5 * (z1 + z2)  # New redshifts computed using line centers of the first and second Gaussian
     z_err = np.sqrt(0.25 * (err1**2 + err2**2))
@@ -598,7 +611,9 @@ 
Source code for qsoabsfind.absorberutils
   

 
   

-    
© Copyright .

+    
© Copyright 2021-2024, Abhijeet Anand.
+      Last updated on 2024-08-01 23:18:45.166774.
+      

   

 
   Built with Sphinx using a
diff --git a/docs/_build/html/_modules/qsoabsfind/ew.html b/docs/_build/html/_modules/qsoabsfind/ew.html
index 5f8adb9..9b266c8 100644
--- a/docs/_build/html/_modules/qsoabsfind/ew.html
+++ b/docs/_build/html/_modules/qsoabsfind/ew.html
@@ -73,11 +73,18 @@
            

              
   
Source code for qsoabsfind.ew
-import numpy as np
+"""
+This script contains a function to fit a given absorption profile with a double gaussian and measure equivalent widths.
+"""
+
+import numpy as np
 from scipy.optimize import curve_fit
-from .config import lines
 from .utils import double_gaussian
 from .absorberutils import redshift_estimate
+from .config import load_constants
+
+constants = load_constants()
+lines = constants.lines
 
 # Example usage within double_curve_fit
 

@@ -350,7 +357,9 @@ 
Source code for qsoabsfind.ew
   

 
   

-    
© Copyright .

+    
© Copyright 2021-2024, Abhijeet Anand.
+      Last updated on 2024-08-01 23:18:45.166774.
+      

   

 
   Built with Sphinx using a
diff --git a/docs/_build/html/_modules/qsoabsfind/io.html b/docs/_build/html/_modules/qsoabsfind/io.html
index eceedf2..3becac7 100644
--- a/docs/_build/html/_modules/qsoabsfind/io.html
+++ b/docs/_build/html/_modules/qsoabsfind/io.html
@@ -73,14 +73,18 @@
            

              
   
Source code for qsoabsfind.io
-import astropy.io.fits as fits
+"""
+This script contains a functions to read and write files.
+"""
+
+import astropy.io.fits as fits
 import numpy as np
 
 

 [docs]
 def read_fits_file(fits_file, index=None):
     """
-    Reads the FLUX, ERROR, WAVELENGTH, and TGTDETAILS extensions from the
+    Reads the FLUX, ERROR, WAVELENGTH, and METADATA extensions from the
     FITS file.
 
     Args:
@@ -88,25 +92,25 @@ 
Source code for qsoabsfind.io
         index (int, list, or np.ndarray, optional): Index or indices of the rows to load. Default is None.
 
     Returns:
-        tuple: A tuple containing the flux, error, wavelength, and tgtdetails data.
+        tuple: A tuple containing the flux, error, wavelength, and metadata data.
     """
     with fits.open(fits_file, memmap=True) as hdul:
         if index is None:
             flux = hdul['FLUX'].data
             error = hdul['ERROR'].data
             wavelength = hdul['WAVELENGTH'].data
-            tgtdetails = hdul['TGTDETAILS'].data
+            metadata = hdul['METADATA'].data
         else:
             if isinstance(index, int):
                 flux = hdul['FLUX'].data[index].flatten()
                 error = hdul['ERROR'].data[index].flatten()
-                tgtdetails = {name: hdul['TGTDETAILS'].data[index][name] for name in hdul['TGTDETAILS'].data.names}
+                metadata = {name: hdul['METADATA'].data[index][name] for name in hdul['METADATA'].data.names}
             else:
                 flux = hdul['FLUX'].data[index]
                 error = hdul['ERROR'].data[index]
-                tgtdetails = hdul['TGTDETAILS'].data[index]
+                metadata = hdul['METADATA'].data[index]
             wavelength = hdul['WAVELENGTH'].data  # Assuming wavelength is common for all spectra
-    return flux, error, wavelength, tgtdetails

+    return flux, error, wavelength, metadata

 
 
 

@@ -167,7 +171,9 @@ 
Source code for qsoabsfind.io
   

 
   

-    
© Copyright .

+    
© Copyright 2021-2024, Abhijeet Anand.
+      Last updated on 2024-08-01 23:18:45.166774.
+      

   

 
   Built with Sphinx using a
diff --git a/docs/_build/html/_modules/qsoabsfind/parallel_convolution.html b/docs/_build/html/_modules/qsoabsfind/parallel_convolution.html
index 62d0177..d825fb0 100644
--- a/docs/_build/html/_modules/qsoabsfind/parallel_convolution.html
+++ b/docs/_build/html/_modules/qsoabsfind/parallel_convolution.html
@@ -73,21 +73,20 @@
            

              
   
Source code for qsoabsfind.parallel_convolution
-#!/usr/bin/env python
+"""
+This script contains a function that runs the absorber finder in parallel for many spectra.
+"""
 
 import numpy as np
 import argparse
 import time
 from multiprocessing import Pool
-from .absfinder import convolution_method_absorber_finder_in_QSO_spectra
+from .absfinder import read_single_spectrum_and_find_absorber
 from .io import save_results_to_fits
 import re
 import os
 import pkg_resources
-import qsoabsfind
-
-# Ensure config is imported first to set up the environment
-import qsoabsfind.config as config
+from .config import load_constants
 
 def get_package_versions():
     """
@@ -101,14 +100,21 @@ 
Source code for qsoabsfind.parallel_convolution
<
     return versions
 
 
-def run_convolution_method_absorber_finder_QSO_spectra(fits_file, spec_index, absorber, ker_width_pixels, coeff_sigma, mult_resi, d_pix,
-                pm_pixel, sn_line1, sn_line2, use_covariance, logwave):
+def run_convolution_method_absorber_finder_QSO_spectra(fits_file, spec_index, absorber, kwargs):
     """
-    Wrapper function to unpack parameters and call the main convolution
-    method.
+    Wrapper function to unpack parameters and call the main convolution method.
+
+    Args:
+        fits_file (str): Path to the FITS file containing Normalized QSO spectra.
+        spec_indices (list or numpy.array): Indices of quasars in the data matrix.
+        absorber (str): Absorber name for searching doublets (MgII, CIV). Default is 'MgII'.
+        kwargs (dictionary): search parameters as described in qsoabsfind.constants()
+
+    Returns:
+        tuples containing detected absorber details
+
     """
-    return convolution_method_absorber_finder_in_QSO_spectra(fits_file, spec_index, absorber, ker_width_pixels, coeff_sigma, mult_resi, d_pix,
-                    pm_pixel, sn_line1, sn_line2, use_covariance, logwave)
+    return read_single_spectrum_and_find_absorber(fits_file, spec_index, absorber, **kwargs)
 
 def parse_qso_sequence(qso_sequence):
     """
@@ -140,7 +146,7 @@ 
Source code for qsoabsfind.parallel_convolution
<
 
 

 [docs]
-def parallel_convolution_method_absorber_finder_QSO_spectra(fits_file, spec_indices, absorber='MgII', ker_width_pixels=[3, 4, 5, 6, 7, 8], coeff_sigma=2.5, mult_resi=1, d_pix=0.6, pm_pixel=200, sn_line1=3, sn_line2=2, use_covariance=False, logwave=True, n_jobs=1):
+def parallel_convolution_method_absorber_finder_QSO_spectra(fits_file, spec_indices, absorber='MgII', ker_width_pixels=[3, 4, 5, 6, 7, 8], coeff_sigma=2.5, mult_resi=1, d_pix=0.6, pm_pixel=200, sn_line1=3, sn_line2=2, use_covariance=False, logwave=True, verbose=False, n_jobs=1):
     """
     Run convolution_method_absorber_finder_in_QSO_spectra in parallel using
     multiprocessing.
@@ -158,13 +164,16 @@ 
Source code for qsoabsfind.parallel_convolution
<
         sn_line2 (float): Signal-to-noise ratio for thresholding for line2.
         use_covariance (bool): If want to use full covariance of scipy curve_fit for EW error calculation (default is False).
         logwave (bool): If wavelength on logscale (default True for SDSS).
+        verbose (bool): if True will print lots of output for debugging
         n_jobs (int): Number of parallel jobs to run.
 
     Returns:
         dict: A dictionary containing combined results from all parallel runs.
     """
-    params_list = [(fits_file, spec_index, absorber, ker_width_pixels, coeff_sigma, mult_resi, d_pix,
-                    pm_pixel, sn_line1, sn_line2, use_covariance, logwave) for spec_index in spec_indices]
+
+    kwargs = {'ker_width_pixels': ker_width_pixels, 'coeff_sigma': coeff_sigma, 'mult_resi': mult_resi, 'd_pix': d_pix, 'pm_pixel': pm_pixel, 'sn_line1': sn_line1, 'sn_line2': sn_line2, 'use_covariance': use_covariance, 'logwave': logwave, 'verbose': verbose}
+
+    params_list = [(fits_file, spec_index, absorber, kwargs) for spec_index in spec_indices]
 
     # Run the jobs in parallel
     with Pool(processes=n_jobs) as pool:
@@ -227,7 +236,14 @@ 
Source code for qsoabsfind.parallel_convolution
<
 
     # Set the environment variable for the constants file
     if args.constant_file:
-        os.environ['QSO_CONSTANTS_FILE'] = args.constant_file
+        if not os.path.isabs(args.constant_file):
+            args.constant_file = os.path.abspath(os.path.join(os.getcwd(), args.constant_file))
+            os.environ['QSO_CONSTANTS_FILE'] = args.constant_file
+            print(f"INFO: Using user-provided constants from: {args.constant_file}")
+
+    print(f"INFO: QSO_CONSTANTS_FILE: {os.environ['QSO_CONSTANTS_FILE']}")
+    # set the new constants
+    constants = load_constants()
 
     # Prepare headers
     headers = {}
@@ -238,15 +254,15 @@ 
Source code for qsoabsfind.parallel_convolution
<
     # Add search parameters and package versions to headers
     headers.update({
         'ABSORBER': {"value": args.absorber, "comment": 'Absorber name'},
-        'KERWIDTH': {"value": str(config.search_parameters[args.absorber]["ker_width_pixels"]), "comment": 'Kernel width in pixels'},
-        'COEFFSIG': {"value": config.search_parameters[args.absorber]["coeff_sigma"], "comment": 'Coefficient for sigma threshold'},
-        'MULTRE': {"value": config.search_parameters[args.absorber]["mult_resi"], "comment": 'Multiplicative factor for residuals'},
-        'D_PIX': {"value": config.search_parameters[args.absorber]["d_pix"], "comment": 'toloerance for line separation (in Ang)'},
-        'PM_PIXEL': {"value": config.search_parameters[args.absorber]["pm_pixel"], "comment": 'Pixel parameter for local noise estimation'},
-        'SN_LINE1': {"value": config.search_parameters[args.absorber]["sn_line1"], "comment": 'S/N threshold for first line'},
-        'SN_LINE2': {"value": config.search_parameters[args.absorber]["sn_line2"], "comment": 'S/N threshold for second line'},
-        'EWCOVAR': {"value": config.search_parameters[args.absorber]["use_covariance"], "comment": 'Use covariance for EW error calculation'},
-        'LOGWAVE': {"value": config.search_parameters[args.absorber]["logwave"], "comment": 'Use log wavelength scaling'}
+        'KERWIDTH': {"value": str(constants.search_parameters[args.absorber]["ker_width_pixels"]), "comment": 'Kernel width in pixels'},
+        'COEFFSIG': {"value": constants.search_parameters[args.absorber]["coeff_sigma"], "comment": 'Coefficient for sigma threshold'},
+        'MULTRE': {"value": constants.search_parameters[args.absorber]["mult_resi"], "comment": 'Multiplicative factor for residuals'},
+        'D_PIX': {"value": constants.search_parameters[args.absorber]["d_pix"], "comment": 'toloerance for line separation (in Ang)'},
+        'PM_PIXEL': {"value": constants.search_parameters[args.absorber]["pm_pixel"], "comment": 'Pixel parameter for local noise estimation'},
+        'SN_LINE1': {"value": constants.search_parameters[args.absorber]["sn_line1"], "comment": 'S/N threshold for first line'},
+        'SN_LINE2': {"value": constants.search_parameters[args.absorber]["sn_line2"], "comment": 'S/N threshold for second line'},
+        'EWCOVAR': {"value": constants.search_parameters[args.absorber]["use_covariance"], "comment": 'Use covariance for EW error calculation'},
+        'LOGWAVE': {"value": constants.search_parameters[args.absorber]["logwave"], "comment": 'Use log wavelength scaling'}
     })
 
     package_versions = get_package_versions()
@@ -264,15 +280,15 @@ 
Source code for qsoabsfind.parallel_convolution
<
     # Run the convolution method in parallel
     results = parallel_convolution_method_absorber_finder_QSO_spectra(
         args.input_fits_file, spec_indices, absorber=args.absorber,
-        ker_width_pixels=config.search_parameters[args.absorber]["ker_width_pixels"],
-        coeff_sigma=config.search_parameters[args.absorber]["coeff_sigma"],
-        mult_resi=config.search_parameters[args.absorber]["mult_resi"],
-        d_pix=config.search_parameters[args.absorber]["d_pix"],
-        pm_pixel=config.search_parameters[args.absorber]["pm_pixel"],
-        sn_line1=config.search_parameters[args.absorber]["sn_line1"],
-        sn_line2=config.search_parameters[args.absorber]["sn_line2"],
-        use_covariance=config.search_parameters[args.absorber]["use_covariance"],
-        logwave=config.search_parameters[args.absorber]["logwave"], n_jobs=args.n_tasks * args.ncpus
+        ker_width_pixels=constants.search_parameters[args.absorber]["ker_width_pixels"],
+        coeff_sigma=constants.search_parameters[args.absorber]["coeff_sigma"],
+        mult_resi=constants.search_parameters[args.absorber]["mult_resi"],
+        d_pix=constants.search_parameters[args.absorber]["d_pix"],
+        pm_pixel=constants.search_parameters[args.absorber]["pm_pixel"],
+        sn_line1=constants.search_parameters[args.absorber]["sn_line1"],
+        sn_line2=constants.search_parameters[args.absorber]["sn_line2"],
+        use_covariance=constants.search_parameters[args.absorber]["use_covariance"],
+        logwave=constants.search_parameters[args.absorber]["logwave"], verbose=constants.search_parameters[args.absorber]["verbose"], n_jobs=args.n_tasks * args.ncpus
     )
 
     # Save the results to a FITS file
@@ -295,7 +311,9 @@ 
Source code for qsoabsfind.parallel_convolution
<
   

 
   

-    
© Copyright .

+    
© Copyright 2021-2024, Abhijeet Anand.
+      Last updated on 2024-08-01 23:18:45.166774.
+      

   

 
   Built with Sphinx using a
diff --git a/docs/_build/html/_modules/qsoabsfind/spec.html b/docs/_build/html/_modules/qsoabsfind/spec.html
index 2b137fd..879eb37 100644
--- a/docs/_build/html/_modules/qsoabsfind/spec.html
+++ b/docs/_build/html/_modules/qsoabsfind/spec.html
@@ -73,7 +73,11 @@
            

              
   
Source code for qsoabsfind.spec
-from .io import read_fits_file
+"""
+This script contains a classes and functions to read a given spectra fits files.
+"""
+
+from .io import read_fits_file
 from .utils import elapsed
 import time
 
@@ -81,7 +85,7 @@ 
Source code for qsoabsfind.spec
 [docs]
 class QSOSpecRead:
     """
-    A class to read and handle QSO spectra from a FITS file containing FLUX, ERROR, WAVELENGTH, and TGTDETAILS extensions."""
+    A class to read and handle QSO spectra from a FITS file containing FLUX, ERROR, WAVELENGTH, and METADATA extensions."""
 
 

 [docs]
@@ -97,7 +101,7 @@ 
Source code for qsoabsfind.spec
         self.flux = None
         self.error = None
         self.wavelength = None
-        self.tgtdetails = None
+        self.metadata = None
         self.index = index
         self.read_fits()

 
@@ -110,20 +114,20 @@ 
Source code for qsoabsfind.spec
         operation.
         """
         start_time = time.time()
-        self.flux, self.error, self.wavelength, self.tgtdetails = read_fits_file(self.fits_file, self.index)
+        self.flux, self.error, self.wavelength, self.metadata = read_fits_file(self.fits_file, self.index)
         elapsed(start_time, "\nTime taken to read FITS file")

 
 
-

-[docs]
-    def get_tgtdetails(self):
+

+[docs]
+    def get_metadata(self):
         """
-        Returns the TGTDETAILS data with keyword handling.
+        Returns the METADATA data with keyword handling.
 
         Returns:
-            dict: The tgtdetails data with keywords.
+            dict: The metadata data with keywords.
         """
-        details_dict = {key: self.tgtdetails[key] for key in self.tgtdetails.dtype.names}
+        details_dict = {key: self.metadata[key] for key in self.metadata.dtype.names}
         return details_dict

 

 
@@ -136,7 +140,9 @@ 
Source code for qsoabsfind.spec
   

 
   

-    
© Copyright .

+    
© Copyright 2021-2024, Abhijeet Anand.
+      Last updated on 2024-08-01 23:18:45.166774.
+      

   

 
   Built with Sphinx using a
diff --git a/docs/_build/html/_modules/qsoabsfind/utils.html b/docs/_build/html/_modules/qsoabsfind/utils.html
index 05e6873..a4cd041 100644
--- a/docs/_build/html/_modules/qsoabsfind/utils.html
+++ b/docs/_build/html/_modules/qsoabsfind/utils.html
@@ -73,10 +73,14 @@
            

              
   
Source code for qsoabsfind.utils
-import time
+"""
+This script contains some utility functions.
+"""
+
+import time
 #import logging
 import numpy as np
-from .config import lines, amplitude_dict, speed_of_light
+from .config import load_constants
 import matplotlib.pyplot as plt
 import os
 
@@ -86,6 +90,9 @@ 
Source code for qsoabsfind.utils
 # Set the logging level for Matplotlib to WARNING to suppress DEBUG messages
 #logging.getLogger('matplotlib').setLevel(logging.WARNING)
 
+constants = load_constants()
+lines, amplitude_dict, speed_of_light = constants.lines, constants.amplitude_dict, constants.speed_of_light
+
 

 [docs]
 def elapsed(start, msg):
@@ -322,37 +329,64 @@ 
Source code for qsoabsfind.utils
 
 

 [docs]
-def plot_absorber(lam, residual, absorber, zabs, xlabel='obs wave (ang)', ylabel='residual', title='QSO', plot_filename=None):
+def plot_absorber(lam, residual, absorber, zabs, xlabel='obs wave (ang)', ylabel='residual', title='QSO', plot_filename=None, zoom=False):
     """
     Saves a plot of spectra with absorber in the current working directory.
 
     Args:
-        lam (array-like): observed wavelength.
-        residual (array-like): residual.
-        absorber (str): e.g. MgII, CIV
-        zabs(list): list of absorbers
-        xlabel (str): The label for the x-axis. Default is 'X-axis'.
-        ylabel (str): The label for the y-axis. Default is 'Y-axis'.
-        title (str): The title of the plot. Default is 'Plot Title'.
-        plot_filename (str): if provided, will save the plot
+        lam (array-like): Observed wavelength.
+        residual (array-like): Residual flux.
+        absorber (str): Type of absorber, e.g., 'MgII', 'CIV'.
+        zabs (list): List of absorber redshifts.
+        xlabel (str): The label for the x-axis. Default is 'obs wave (ang)'.
+        ylabel (str): The label for the y-axis. Default is 'residual'.
+        title (str): The title of the plot. Default is 'QSO'.
+        plot_filename (str): If provided, will save the plot to the given filename.
+        zoom (bool): If True, adds an inset plot to show a zoomed-in version of the absorber lines.
     """
-    # Create the plot
-    plt.figure(figsize=(12,4))
+    # Create the main plot
+    plt.figure(figsize=(12, 4))
     plt.plot(lam, residual, ls='-', lw=1.5)
-    if absorber=='MgII':
+
+    # Determine the absorber line labels
+    if absorber == 'MgII':
         l1, l2 = 'MgII_2796', 'MgII_2803'
-    if absorber=='CIV':
+    elif absorber == 'CIV':
         l1, l2 = 'CIV_1548', 'CIV_1550'
+    else:
+        raise ValueError(f"Unsupported absorber type: {absorber}")
+
+    # Plot vertical lines for the absorber lines
     for z in zabs:
-        x1, x2 = lines[l1]*(1+z), lines[l2]*(1+z)
-        plt.axvline(x = x1, color='r', ls='--')
-        plt.axvline(x = x2, color='r', ls='--')
+        x1, x2 = lines[l1] * (1 + z), lines[l2] * (1 + z)
+        plt.axvline(x=x1, color='r', ls='--', label=f'{l1} z={z:.3f}')
+        plt.axvline(x=x2, color='r', ls='--', label=f'{l2} z={z:.3f}')
+
     plt.xlabel(xlabel)
     plt.ylabel(ylabel)
     plt.title(title)
     plt.grid(True)
     plt.ylim(-1, 2)
 
+    # Add inset zoomed plot if requested
+    if zoom:
+        sep = 25
+        ax_inset = plt.gca().inset_axes([0.6, 0.15, 0.35, 0.4])  # position: [x0, y0, width, height]
+        for z in zabs:
+            x1, x2 = lines[l1] * (1 + z), lines[l2] * (1 + z)
+            mask = (lam > x1 - sep) & (lam < x2 + sep)  # zoom range around the lines
+            ax_inset.plot(lam[mask], residual[mask], ls='-', lw=1.5)
+            ax_inset.axvline(x=x1, color='r', ls='--')
+            ax_inset.axvline(x=x2, color='r', ls='--')
+        ax_inset.set_xlim([x1 - sep, x2 + sep])
+        #Determine appropriate y-limits for inset based on data
+        y_min, y_max = residual[mask].min(), residual[mask].max()
+        y_margin = 0.2 * (y_max - y_min)  # Add a margin for better visibility
+        ax_inset.set_ylim(y_min - y_margin, y_max + y_margin)
+        ax_inset.set_title(f'Zoomed-In {absorber} Lines')
+        ax_inset.grid(True)
+
+    # Save or display the plot
     if plot_filename is not None:
         # Get the current working directory
         current_dir = os.getcwd()
@@ -377,7 +411,9 @@ 
Source code for qsoabsfind.utils
   

 
   

-    
© Copyright .

+    
© Copyright 2021-2024, Abhijeet Anand.
+      Last updated on 2024-08-01 23:18:45.166774.
+      

   

 
   Built with Sphinx using a
diff --git a/docs/_build/html/_sources/fileformat.rst.txt b/docs/_build/html/_sources/fileformat.rst.txt
index 6203820..e6a107a 100644
--- a/docs/_build/html/_sources/fileformat.rst.txt
+++ b/docs/_build/html/_sources/fileformat.rst.txt
@@ -9,18 +9,29 @@ The input `fits file` must have the following HDU extensions:
 - **FLUX**: Should ideally contain the residual spectra (usually the flux/continuum, i.e., the continuum normalized spectra).
 - **WAVELENGTH**: Observed wavelength (in Angstroms).
 - **ERROR**: Error on residuals.
-- **TGTDETAILS**: Spectral details (such as Z_QSO, RA_QSO, DEC_QSO).
+- **METADATA**: Spectral details (such as Z_QSO, RA_QSO, DEC_QSO).
+
+I have also provided an example QSO spectra FITS file, `data/qso_test.fits`, which contains 500 continuum-normalized SDSS QSO spectra. You can use this file to test an example run as described below.
 
 Constant File (Optional)
 ------------------------
 
-The user-defined **constant-file** must follow the same structure as the `qsoabsfind.constants` file, otherwise, the code will fail. If you want to use the default search parameters, you can run the tool without the `constant-file` option.
+Before using your own constants file, please set an environment variable `QSO_CONSTANTS_FILE` in your `bashrc` or `zshrc` file, and point it to the `qsoabsfind.constants` file. Since the code dynamically loads constants from a new file, it is important to define this environment variable.
+
+The user-defined **constants file** must follow the same structure as the `qsoabsfind.constants `_ file; otherwise, the code will fail. If you want to use the default search parameters, you can run the tool without specifying the `constant-file` option.
 
 Then run `qsoabsfind` with the required FITS file. If using a custom constant file, include it in the command:
 
 ::
 
-    qsoabsfind --input  [--constant-file ] --output 
+    qsoabsfind --input-fits-file data/qso_test.fits \
+               --n-qso 500 \
+               --absorber MgII \
+               --output test_MgII.fits \
+               --headers SURVEY=SDSS AUTHOR=YOUR_NAME \
+               --n-tasks 16 \
+               --ncpus 4
+               --constant-file path_to_your_file
 
 Output FITS File Structure
 --------------------------
@@ -29,11 +40,11 @@ The **output** `fits file` will have the `ABSORBER` HDU, containing arrays such
 
 - **INDEX_SPEC**: Index of quasar (can be used to read the RA, DEC, and Z of QSOs).
 - **Z_ABS**: Redshift of absorber.
-- **${METAL}_${line}_EW**: Rest-frame equivalent widths (EWs) of absorber lines (e.g., MgII 2796, 2803 or CIV 1548, 1550) in Angstroms.
-- **${METAL}_${line}_EW_ERROR**: Uncertainties in rest-frame EWs of absorber lines in Angstroms.
+- **${METAL}_${LINE}_EW**: Rest-frame equivalent widths (EWs) of absorber lines (e.g., MgII 2796, 2803 or CIV 1548, 1550) in Angstroms.
+- **${METAL}_${LINE}_EW_ERROR**: Uncertainties in rest-frame EWs of absorber lines in Angstroms.
 - **Z_ABS_ERR**: Measured error in the redshift of the absorber.
 - **GAUSS_FIT**: Rest-frame fitting parameters of double Gaussian to the absorber doublet (the width can be used to measure the velocity dispersion).
 - **GAUSS_FIT_STD**: Uncertainties in rest-frame fitting parameters of double Gaussian to the absorber doublet.
-- **SN_${METAL}_${line}**: Signal-to-noise ratio of the lines.
-- **${metal}_EW_TOTAL**: Total EW of the lines in Angstroms.
-- **${metal}_EW_TOTAL_ERROR**: Uncertainties in total EW of the lines in Angstroms.
+- **SN_${METAL}_${LINE}**: Signal-to-noise ratio of the lines.
+- **${METAL}_EW_TOTAL**: Total EW of the lines in Angstroms.
+- **${METAL}_EW_TOTAL_ERROR**: Uncertainties in total EW of the lines in Angstroms.
diff --git a/docs/_build/html/_sources/index.rst.txt b/docs/_build/html/_sources/index.rst.txt
index 050a37e..d7ddaa2 100644
--- a/docs/_build/html/_sources/index.rst.txt
+++ b/docs/_build/html/_sources/index.rst.txt
@@ -26,38 +26,22 @@ Features
 GitHub repository
 -----------------
 
-The source code is available at Please see the `qsoabsfind repo `_.
+The source code is available on GitHub. Please see the `qsoabsfind `_ repo.
 
 
 Citation
 --------
 
-Please cite `Anand, Nelson & Kauffmann 2021 `_ if you find this code useful in your research. The BibTeX entry for the paper is:
-
-.. code-block:: sh
-
-     @ARTICLE{2021MNRAS.504...65A,
-        author = {{Anand}, Abhijeet and {Nelson}, Dylan and {Kauffmann}, Guinevere},
-         title = "{Characterizing the abundance, properties, and kinematics of the cool circumgalactic medium of galaxies in absorption with SDSS DR16}",
-       journal = {\mnras},
-      keywords = {galaxies: evolution, galaxies: formation, large-scale structure of Universe, Astrophysics - Astrophysics of Galaxies},
-          year = 2021,
-         month = jun,
-        volume = {504},
-        number = {1},
-         pages = {65-88},
-           doi = {10.1093/mnras/stab871},
-     archivePrefix = {arXiv},
-        eprint = {2103.15842},
-     primaryClass = {astro-ph.GA},
-        adsurl = {https://ui.adsabs.harvard.edu/abs/2021MNRAS.504...65A},
-       adsnote = {Provided by the SAO/NASA Astrophysics Data System}
-     }
+Please cite `Anand, Nelson & Kauffmann 2021 `_ if you find this code useful in your research. The BibTeX entry for the paper is can be found `here `_.
+
 
 Contact
 -------
 
-If you have any questions/suggestions, please feel free to write to abhijeetanand2011 [at] gmail.com
+| Abhijeet Anand
+| Lawrence Berkeley National Lab
+
+If you have any questions/suggestions, please feel free to write to abhijeetanand2011 [at] gmail.com or, preferably, open a GitHub issue.
 
 
 Indices and tables
diff --git a/docs/_build/html/_sources/installation.rst.txt b/docs/_build/html/_sources/installation.rst.txt
index b9f11b5..c5d1c35 100644
--- a/docs/_build/html/_sources/installation.rst.txt
+++ b/docs/_build/html/_sources/installation.rst.txt
@@ -27,14 +27,27 @@ First, clone the repository to your local machine:
 Running example:
 ----------------
 
-Before running, please read :doc:`File formats `.
+Before running, please read :doc:`File formats `. I have provided an example QSO spectra FITS file, `data/qso_test.fits`, which contains 500 continuum-normalized SDSS QSO spectra. You can use this file to test an example run as described below.
 
 .. code-block:: bash
 
-    qsoabsfind --input-fits-file path_to_input_fits_file.fits \
-               --n-qso 1-1000:10 \
+    qsoabsfind --input-fits-file data/qso_test.fits \
+               --n-qso 500 \
                --absorber MgII \
-               --output path_to_output_fits_file.fits \
-               --headers KEY1=VALUE1 KEY2=VALUE2 \
+               --output test_MgII.fits \
+               --headers SURVEY=SDSS AUTHOR=YOUR_NAME \
                --n-tasks 16 \
                --ncpus 4
+
+Useful notes:
+-------------
+
+Parallel mode can be memory-intensive if the input FITS file is large in size. As the code accesses the FITS file to read QSO spectra when running in parallel, it can become a bottleneck for memory, and the code may fail. Currently, I suggest the following:
+
+   - **Divide your file into smaller chunks:** Split the FITS file into several smaller files, each containing approximately `N` spectra. Then run the code on these smaller files.
+
+   - **Use a rule of thumb for file size:** Ensure that the size of each individual file is no larger than `total_memory/ncpu` of your node or system. Based on this idea you can decide your `N`. I would suggest `N = 1000`.
+
+   - **Merge results at the end:** After processing, you can merge your results.
+
+In order to decide the right size of the FITS file, consider the total available memory and the number of CPUs in your system.
diff --git a/docs/_build/html/fileformat.html b/docs/_build/html/fileformat.html
index fea2d2a..046f785 100644
--- a/docs/_build/html/fileformat.html
+++ b/docs/_build/html/fileformat.html
@@ -72,7 +72,7 @@
       
    • 
       
  • File formats
    • 
       
  • 
-               Edit on GitHub
+               Edit on GitHub
       
    • 
   
   
    
@@ -89,14 +89,23 @@ 
    Input FITS File Structure
 
    Constant File (Optional)
    
-
    The user-defined constant-file must follow the same structure as the qsoabsfind.constants file, otherwise, the code will fail. If you want to use the default search parameters, you can run the tool without the constant-file option.
    
+
    Before using your own constants file, please set an environment variable QSO_CONSTANTS_FILE in your bashrc or zshrc file, and point it to the qsoabsfind.constants file. Since the code dynamically loads constants from a new file, it is important to define this environment variable.
    
+
    The user-defined constants file must follow the same structure as the qsoabsfind.constants file; otherwise, the code will fail. If you want to use the default search parameters, you can run the tool without specifying the constant-file option.
    
 
    Then run qsoabsfind with the required FITS file. If using a custom constant file, include it in the command:
    
-
    qsoabsfind --input <input_fits_file> [--constant-file <constant_file>] --output <output_fits_file>
+
    qsoabsfind --input-fits-file data/qso_test.fits \
+           --n-qso 500 \
+           --absorber MgII \
+           --output test_MgII.fits \
+           --headers SURVEY=SDSS AUTHOR=YOUR_NAME \
+           --n-tasks 16 \
+           --ncpus 4
+           --constant-file path_to_your_file
 
    
 
    
 
@@ -106,14 +115,14 @@ 
    Output FITS File Structure
 
  • INDEX_SPEC: Index of quasar (can be used to read the RA, DEC, and Z of QSOs).
    • 
 
  • Z_ABS: Redshift of absorber.
    • 
-
  • ${METAL}_${line}_EW: Rest-frame equivalent widths (EWs) of absorber lines (e.g., MgII 2796, 2803 or CIV 1548, 1550) in Angstroms.
    • 
-
  • ${METAL}_${line}_EW_ERROR: Uncertainties in rest-frame EWs of absorber lines in Angstroms.
    • 
+
  • ${METAL}_${LINE}_EW: Rest-frame equivalent widths (EWs) of absorber lines (e.g., MgII 2796, 2803 or CIV 1548, 1550) in Angstroms.
    • 
+
  • ${METAL}_${LINE}_EW_ERROR: Uncertainties in rest-frame EWs of absorber lines in Angstroms.
    • 
 
  • Z_ABS_ERR: Measured error in the redshift of the absorber.
    • 
 
  • GAUSS_FIT: Rest-frame fitting parameters of double Gaussian to the absorber doublet (the width can be used to measure the velocity dispersion).
    • 
 
  • GAUSS_FIT_STD: Uncertainties in rest-frame fitting parameters of double Gaussian to the absorber doublet.
    • 
-
  • SN_${METAL}_${line}: Signal-to-noise ratio of the lines.
    • 
-
  • ${metal}_EW_TOTAL: Total EW of the lines in Angstroms.
    • 
-
  • ${metal}_EW_TOTAL_ERROR: Uncertainties in total EW of the lines in Angstroms.
    • 
+
  • SN_${METAL}_${LINE}: Signal-to-noise ratio of the lines.
    • 
+
  • ${METAL}_EW_TOTAL: Total EW of the lines in Angstroms.
    • 
+
  • ${METAL}_EW_TOTAL_ERROR: Uncertainties in total EW of the lines in Angstroms.
    • 
 
 
 
@@ -130,7 +139,7 @@ 
    Output FITS File Structure
     
    © Copyright 2021-2024, Abhijeet Anand.
-      Last updated on True.
+      Last updated on 2024-08-01 23:30:26.821787.
       
    
   
    
 
diff --git a/docs/_build/html/genindex.html b/docs/_build/html/genindex.html
index a9c92f6..162346e 100644
--- a/docs/_build/html/genindex.html
+++ b/docs/_build/html/genindex.html
@@ -64,7 +64,7 @@
       
    • 
       
  • Index
    • 
       
  • 
-               Edit on GitHub
+               Edit on GitHub
       
    • 
   
   
    
@@ -114,12 +114,10 @@ 
    C
    
   
   
   
 
@@ -168,7 +168,7 @@ 
    G
    
   
   
      
@@ -299,9 +299,11 @@ 
      R
      
 
   
    
   
 
@@ -358,7 +360,7 @@ 
    Z
    
 
   
    
     
    © Copyright 2021-2024, Abhijeet Anand.
-      Last updated on True.
+      Last updated on 2024-08-01 23:30:26.821787.
       
    
   
    
 
diff --git a/docs/_build/html/index.html b/docs/_build/html/index.html
index 2112da9..09cb3ce 100644
--- a/docs/_build/html/index.html
+++ b/docs/_build/html/index.html
@@ -66,7 +66,7 @@
       
    • 
       
  • qsoabsfind’s documentation
    • 
       
  • 
-               Edit on GitHub
+               Edit on GitHub
       
    • 
   
   
    
@@ -96,34 +96,19 @@ 
    Features
 
 
    
 
    GitHub repository
    
-
    The source code is available at Please see the qsoabsfind repo.
    
+
    The source code is available on GitHub. Please see the qsoabsfind repo.
    
 
    
 
    
 
    Citation
    
-
    Please cite Anand, Nelson & Kauffmann 2021 if you find this code useful in your research. The BibTeX entry for the paper is:
    
-
    @ARTICLE{2021MNRAS.504...65A,
-   author = {{Anand}, Abhijeet and {Nelson}, Dylan and {Kauffmann}, Guinevere},
-    title = "{Characterizing the abundance, properties, and kinematics of the cool circumgalactic medium of galaxies in absorption with SDSS DR16}",
-  journal = {\mnras},
- keywords = {galaxies: evolution, galaxies: formation, large-scale structure of Universe, Astrophysics - Astrophysics of Galaxies},
-     year = 2021,
-    month = jun,
-   volume = {504},
-   number = {1},
-    pages = {65-88},
-      doi = {10.1093/mnras/stab871},
-archivePrefix = {arXiv},
-   eprint = {2103.15842},
-primaryClass = {astro-ph.GA},
-   adsurl = {https://ui.adsabs.harvard.edu/abs/2021MNRAS.504...65A},
-  adsnote = {Provided by the SAO/NASA Astrophysics Data System}
-}
-
    
-
    
+
    Please cite Anand, Nelson & Kauffmann 2021 if you find this code useful in your research. The BibTeX entry for the paper is can be found here.
    
 
    
 
    
 
    Contact
    
-
    If you have any questions/suggestions, please feel free to write to abhijeetanand2011 [at] gmail.com
    
+
    
+
    Abhijeet Anand
    
+
    Lawrence Berkeley National Lab
    
+
    
+
    If you have any questions/suggestions, please feel free to write to abhijeetanand2011 [at] gmail.com or, preferably, open a GitHub issue.
    
 
    
 
 
    
@@ -145,8 +130,8 @@ 
    Indices and tables
-    
    © Copyright 2021-2025 Abhijeet Anand 2021-2024, Abhijeet Anand.
-      Last updated on True.
+    
    © Copyright 2021-2024, Abhijeet Anand.
+      Last updated on 2024-08-01 23:30:26.821787.
       
    
   
    
 
diff --git a/docs/_build/html/installation.html b/docs/_build/html/installation.html
index 94f0151..014cacb 100644
--- a/docs/_build/html/installation.html
+++ b/docs/_build/html/installation.html
@@ -50,6 +50,7 @@
 
  • Prerequisites
    • 
 
  • Clone the Repository
    • 
 
  • Running example:
    • 
+
  • Useful notes:
    • 
 
 
 
  • File formats
    • 
@@ -72,7 +73,7 @@
       
    • 
       
  • Installation
    • 
       
  • 
-               Edit on GitHub
+               Edit on GitHub
       
    • 
   
   
    
@@ -106,17 +107,29 @@ 
    Clone the Repository
 
    
 
    Running example:
    
-
    Before running, please read File formats.
    
-
    qsoabsfind --input-fits-file path_to_input_fits_file.fits \
-           --n-qso 1-1000:10 \
+
    Before running, please read File formats. I have provided an example QSO spectra FITS file, data/qso_test.fits, which contains 500 continuum-normalized SDSS QSO spectra. You can use this file to test an example run as described below.
    
+
    qsoabsfind --input-fits-file data/qso_test.fits \
+           --n-qso 500 \
            --absorber MgII \
-           --output path_to_output_fits_file.fits \
-           --headers KEY1=VALUE1 KEY2=VALUE2 \
+           --output test_MgII.fits \
+           --headers SURVEY=SDSS AUTHOR=YOUR_NAME \
            --n-tasks 16 \
            --ncpus 4
 
    
 
    
 
    
+
    
+
    Useful notes:
    
+
    Parallel mode can be memory-intensive if the input FITS file is large in size. As the code accesses the FITS file to read QSO spectra when running in parallel, it can become a bottleneck for memory, and the code may fail. Currently, I suggest the following:
    
+
    
+
      
+
    • Divide your file into smaller chunks: Split the FITS file into several smaller files, each containing approximately N spectra. Then run the code on these smaller files.
      • 
+
    • Use a rule of thumb for file size: Ensure that the size of each individual file is no larger than total_memory/ncpu of your node or system. Based on this idea you can decide your N. I would suggest N = 1000.
      • 
+
    • Merge results at the end: After processing, you can merge your results.
      • 
+
    
+
    
+
    In order to decide the right size of the FITS file, consider the total available memory and the number of CPUs in your system.
    
+
    
 
 
 
@@ -131,7 +144,7 @@ 
    Running example:
     
    © Copyright 2021-2024, Abhijeet Anand.
-      Last updated on True.
+      Last updated on 2024-08-01 23:30:26.821787.
       
    
   
    
 
diff --git a/docs/_build/html/modules.html b/docs/_build/html/modules.html
index 84a7229..6854779 100644
--- a/docs/_build/html/modules.html
+++ b/docs/_build/html/modules.html
@@ -65,7 +65,7 @@
       
    • 
       
  • qsoabsfind Module
    • 
       
  • 
-               Edit on GitHub
+               Edit on GitHub
       
    • 
   
   
    
@@ -87,7 +87,7 @@
 
   
    
     
    © Copyright 2021-2024, Abhijeet Anand.
-      Last updated on True.
+      Last updated on 2024-08-01 23:30:26.821787.
       
    
   
    
 
diff --git a/docs/_build/html/objects.inv b/docs/_build/html/objects.inv
index 74dcee537a23bf0f40bdfefdc015dbbbb67197b1..d195e46f62d1b93b13db77021bc475799bcc8c00 100644
GIT binary patch
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delta 757
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zCvPZgPTTWB@_9(-ENM(55S=~`#+x0&Gmhv@Od9l%`jP4Fg^SEPython Module Index
 
   
    
     
    © Copyright 2021-2024, Abhijeet Anand.
-      Last updated on True.
+      Last updated on 2024-08-01 23:30:26.821787.
       
    
   
    
 
diff --git a/docs/_build/html/qsoabsfind.html b/docs/_build/html/qsoabsfind.html
index ff86752..3232fa7 100644
--- a/docs/_build/html/qsoabsfind.html
+++ b/docs/_build/html/qsoabsfind.html
@@ -56,18 +56,19 @@
 
  • qsoabsfind.absfinder module
 
    • 
 
  • qsoabsfind.absorberutils module
@@ -87,7 +88,7 @@
 
  • qsoabsfind.spec module
   
    
@@ -138,6 +139,7 @@
 
    Full qsoabsfind API reference
    
 
    
 
    qsoabsfind.parallel_convolution module
    
+
    This script contains a function that runs the absorber finder in parallel for many spectra.
    
 
    
 
    
 qsoabsfind.parallel_convolution.main()[source]
    
@@ -145,7 +147,7 @@ 
    Full qsoabsfind API reference
 
    
-qsoabsfind.parallel_convolution.parallel_convolution_method_absorber_finder_QSO_spectra(fits_file, spec_indices, absorber='MgII', ker_width_pixels=[3, 4, 5, 6, 7, 8], coeff_sigma=2.5, mult_resi=1, d_pix=0.6, pm_pixel=200, sn_line1=3, sn_line2=2, use_covariance=False, logwave=True, n_jobs=1)[source]
    
+qsoabsfind.parallel_convolution.parallel_convolution_method_absorber_finder_QSO_spectra(fits_file, spec_indices, absorber='MgII', ker_width_pixels=[3, 4, 5, 6, 7, 8], coeff_sigma=2.5, mult_resi=1, d_pix=0.6, pm_pixel=200, sn_line1=3, sn_line2=2, use_covariance=False, logwave=True, verbose=False, n_jobs=1)[source]
 
    Run convolution_method_absorber_finder_in_QSO_spectra in parallel using
 multiprocessing.
    
 
    
@@ -163,6 +165,7 @@ 
    Full qsoabsfind API reference
 
    qsoabsfind.absfinder module
    
+
    This script contains a function to run convolution based absorber finder on a single spectrum.
    
 
    
 
    
-qsoabsfind.absfinder.convolution_method_absorber_finder_in_QSO_spectra(fits_file, spec_index, absorber='MgII', ker_width_pixels=[3, 4, 5, 6, 7, 8], coeff_sigma=2.5, mult_resi=1, d_pix=0.6, pm_pixel=200, sn_line1=3, sn_line2=2, use_covariance=False, logwave=True)[source]
    
+qsoabsfind.absfinder.convolution_method_absorber_finder_in_QSO_spectra(spec_index, absorber='MgII', lam_obs=None, residual=None, error=None, lam_search=None, unmsk_residual=None, unmsk_error=None, ker_width_pixels=[3, 4, 5, 6, 7, 8], coeff_sigma=2.5, mult_resi=1, d_pix=0.6, pm_pixel=200, sn_line1=3, sn_line2=2, use_covariance=False, logwave=True, verbose=False)[source]
 
    Detect absorbers with doublet properties in SDSS quasar spectra using a
 convolution method. This function identifies potential absorbers based on
 user-defined threshold criteria, applies Gaussian fitting to reject false
@@ -189,22 +193,43 @@ 
    Full qsoabsfind API reference
 
    Parameters:
    
 
      
-
    • fits_file (str) – Path to the FITS file containing Normalized QSO spectra (i.e. flux/continuum), must contain FLUX, ERROR (i.e. error/continuum), WAVELENGTH, and TGTDETAILS extensions. In TGTDETAILS, must contain keywords like RA_QSO, DEC_QSO, Z_QSO.
      • 
-
    • spec_index (int) – Index of quasar in the spectra matrix.
      • 
+
    • spec_index (int) – Index of quasar in the spectra 2D array.
      • 
 
    • absorber (str) – Absorber name for searching doublets (MgII, CIV). Default is ‘MgII’.
      • 
+
    • lam_obs (numpy.array) – observed wavelength array.
      • 
+
    • residual (numpy.array) – residual (i.e. flux/continuum) array
      • 
+
    • error (numpy.array) – error on residuals
      • 
+
    • lam_search (numpy.array) – search observed wavelength array (i.e. region where absorber will be looked for).
      • 
+
    • unmsk_residual (numpy.array) – search residual array (residuals at search wavelength pixels)
      • 
+
    • unmsk_error (numpy.array) – error on residuals array in search wavelength region
      • 
 
    • ker_width_pix (list) – List of kernel widths in pixels. Default is [3, 4, 5, 6, 7, 8].
      • 
 
    • coeff_sigma (float) – Coefficient for sigma to apply threshold in the convolved array. Default is 2.5.
      • 
 
    • mult_resi (float) – Factor to shift the residual up or down. Default is 1.
      • 
 
    • d_pix (float) – Pixel distance for line separation during Gaussian fitting. Default is 0.6.
      • 
 
    • pm_pixel (int) – Pixel parameter for local noise estimation (default 200).
      • 
-
    • sn_line1 (float) – Signal-to-noise ratio for thresholding for line1.
      • 
-
    • sn_line2 (float) – Signal-to-noise ratio for thresholding for line2.
      • 
+
    • sn_line1 (float) – Signal-to-noise ratio for thresholding for line1 (default 3).
      • 
+
    • sn_line2 (float) – Signal-to-noise ratio for thresholding for line2 (default 3).
      • 
 
    • use_covariance (bool) – if want to use full covariance of scipy curvey_fit for EW error calculation (default is False)
      • 
-
    • logwave (bool) – if wavelength on log scale
      • 
+
    • logwave (bool) – if wavelength on log scale (default True for SDSS)
      • 
+
    • verbose (bool) – if want to print a lot of outputs for debugging (default False)
      • 
 
    
 
    
 
    Returns:
    
-
    Contains lists of various parameters related to detected absorbers.
    
+
    
+
    Contains lists of various parameters related to detected absorbers.
      
+
    • index (list): QSO spec index searched
      • 
+
    • zabs (list): redshifts of absorbers detected
      • 
+
    • params (list of arrays): gaussian fit parameters for each absorber
      • 
+
    • errror params (list of arrays): errors on gaussian fit parameters for each absorber
      • 
+
    • EW1 (list): Equivalent width of line 1 for each absorber
      • 
+
    • EW2 (list): Equivalent width of line 2 for each absorber
      • 
+
    • EW total (list): Total Equivalent width of line 1 and line 2 for each absorber
      • 
+
    • errors EW1 (list): errors on Equivalent width of line 1 for each absorber
      • 
+
    • errors EW2 (list): errors on Equivalent width of line 2 for each absorber
      • 
+
    • errors EW total (list): errors on Total Equivalent width of line 1 and line 2 for each absorber
      • 
+
    
+
    
+
    
+
    
 
    
 
    Return type:
    
 
    tuple
    
@@ -240,6 +265,55 @@ 
    Full qsoabsfind API reference
+
    
+qsoabsfind.absfinder.read_single_spectrum_and_find_absorber(fits_file, spec_index, absorber, **kwargs)[source]
    
+
    This function retrieves a single QSO spectrum from a FITS file, processes the data to remove NaNs,
+and prepares the spectrum for absorber search within specified wavelength regions
+and runs the convolution based adaptive S/N method to detect absorbers in the spectrum.
    
+
    
+
    Parameters:
    
+
      
+
    • fits_file (str) – Path to the FITS file containing normalized QSO spectra.
+The file must include extensions for FLUX, ERROR, WAVELENGTH
+and METADATA which must contain keyword Z_QSO.
      • 
+
    • spec_index (int) – Index of the quasar spectrum to retrieve from the FITS file.
      • 
+
    • absorber (str) – Name of the absorber to search for (e.g., ‘MgII’, ‘CIV’).
      • 
+
    • kwargs (dictionary) – search parameters used in convolution_method_absorber_finder_in_QSO_spectra()
      • 
+
    
+
    
+
    Returns:
    
+
    
+
    Contains lists of various parameters related to detected absorbers.
      
+
    • index (list): QSO spec index searched
      • 
+
    • zabs (list of floats): redshifts of absorbers detected
      • 
+
    • params (list of arrays): gaussian fit parameters for each absorber
      • 
+
    • errror params (list of arrays): errors on gaussian fit parameters for each absorber
      • 
+
    • EW1 (list of floats): Equivalent width of line 1 for each absorber
      • 
+
    • EW2 (list of floats): Equivalent width of line 2 for each absorber
      • 
+
    • EW total (list of floats): Total Equivalent width of line 1 and line 2 for each absorber
      • 
+
    • errors EW1 (list of floats): errors on Equivalent width of line 1 for each absorber
      • 
+
    • errors EW2 (list of floats): errors on Equivalent width of line 2 for each absorber
      • 
+
    • errors EW total (list of floats): errors on Total Equivalent width of line 1 and line 2 for each absorber
      • 
+
    
+
    
+
    
+
    
+
    
+
    Return type:
    
+
    tuple
    
+
    
+
    Raises:
    
+
    AssertionError – If the sizes of lam_search, unmsk_residual, and unmsk_error do not match.
    
+
    
+
    
+
    Notes
    
+
      
+
    • This function assumes that the input spectra are already normalized (i.e., flux divided by continuum).
      • 
+
    • The wavelength search region is determined dynamically based on the observed wavelength range.
      • 
+
    
+
    
+
 
    
 
    
 
    qsoabsfind.absorberutils module
    
@@ -271,34 +345,6 @@ 
    Full qsoabsfind API reference
-
    
-qsoabsfind.absorberutils.check_error_on_residual(l1, l2, lam_rest, residual, error, log)[source]
    
-
    Check the error on residuals around specified wavelengths.
    
-
    
-
    Parameters:
    
-
      
-
    • l1 (float) – First wavelength to check around.
      • 
-
    • l2 (float) – Second wavelength to check around.
      • 
-
    • lam_rest (numpy.ndarray) – Rest-frame wavelengths.
      • 
-
    • residual (numpy.ndarray) – Residual flux values.
      • 
-
    • error (numpy.ndarray) – Error values corresponding to the residuals.
      • 
-
    • log (bool) – if wavelength bins are on log scale
      • 
-
    
-
    
-
    Returns:
    
-
    
-
    Mean signal-to-noise ratios (SNR) around the specified wavelengths.
    Returns (mean_sn1, mean_sn2).
    
-
    
-
    
-
    
-
    
-
    Return type:
    
-
    tuple
    
-
    
-
    
-
    
-
 
    
 
    
 qsoabsfind.absorberutils.contiguous_pixel_remover(abs_z, sn1_all, sn2_all, use_kernel='MgII')[source]
    
@@ -343,6 +389,34 @@ 
    Full qsoabsfind API reference
+
    
+qsoabsfind.absorberutils.estimate_snr_for_lines(l1, l2, lam_rest, residual, error, log)[source]
    
+
    Estimate S/N of the doublet lines.
    
+
    
+
    Parameters:
    
+
      
+
    • l1 (float) – First wavelength to check around.
      • 
+
    • l2 (float) – Second wavelength to check around.
      • 
+
    • lam_rest (numpy.ndarray) – Rest-frame wavelengths.
      • 
+
    • residual (numpy.ndarray) – Residual flux values.
      • 
+
    • error (numpy.ndarray) – Error values corresponding to the residuals.
      • 
+
    • log (bool) – if wavelength bins are on log scale
      • 
+
    
+
    
+
    Returns:
    
+
    
+
    Mean signal-to-noise ratios (SNR) around the specified wavelengths.
    Returns (mean_sn1, mean_sn2).
    
+
    
+
    
+
    
+
    
+
    Return type:
    
+
    tuple
    
+
    
+
    
+
    
+
 
    
 
    
 qsoabsfind.absorberutils.group_and_weighted_mean_selection_function(master_list_of_pot_absorber, residual, gamma=4)[source]
    
@@ -368,25 +442,17 @@ 
    Full qsoabsfind API reference
 
    
 qsoabsfind.absorberutils.group_contiguous_pixel(data, resi, avg)[source]
    
-
    Arrange data into groups where successive elements differ by less than a
-given average difference.
    
+
    Arrange data into groups where successive elements differ by less than the average difference.
    
 
    
 
    Parameters:
    
 
      
-
    • data (numpy.ndarray) – Array of absorber values for each spectrum.
      • 
-
    • resi (numpy.ndarray) – Corresponding residual values.
      • 
-
    • avg (float) – Average difference threshold for grouping contiguous pixels.
      • 
+
    • data (np.ndarray) – List of absorbers for each spectrum.
      • 
+
    • resi (np.ndarray) – Corresponding residual.
      • 
+
    • avg (float) – Maximum allowed difference to group data.
      • 
 
    
 
    
 
    Returns:
    
-
    
-
    A tuple containing:
      
-
    • list of grouped data
      • 
-
    • list of grouped residuals
      • 
-
    
-
    
-
    
-
    
+
    Final list with contiguous pixels grouped, and corresponding residuals if provided.
    
 
    
 
    Return type:
    
 
    tuple
    
@@ -453,11 +519,10 @@ 
    Full qsoabsfind API reference
-
    
-qsoabsfind.absorberutils.remove_Mg_falsely_identified_as_Fe_absorber(index, z_after_grouping, lam_obs, residual, error, d_pix)[source]
    
-
    Remove any absorber that arises due to Fe 2586, 2600 or vice-versa case
-of 2796, 2803 when using Fe kernel line but has already been detected for
-the 2796 line, i.e., false positive due to Fe lines.
    
+
    
+qsoabsfind.absorberutils.remove_Mg_falsely_come_from_Fe_absorber(index, z_after_grouping, lam_obs, residual, error, d_pix, logwave)[source]
    
+
    Remove any MgII absorber that arises falsley due to Fe 2586, 2600 doublet,
+i.e., false positive due to Fe lines.
    
 
    
 
    Parameters:
    
 
    • 
 
diff --git a/docs/_build/html/search.html b/docs/_build/html/search.html
index 2306a5d..4a68067 100644
--- a/docs/_build/html/search.html
+++ b/docs/_build/html/search.html
@@ -95,7 +95,7 @@
 
   
    
     
    © Copyright 2021-2024, Abhijeet Anand.
-      Last updated on True.
+      Last updated on 2024-08-01 23:30:26.821787.
       
    
   
    
 
diff --git a/docs/_build/html/searchindex.js b/docs/_build/html/searchindex.js
index 28eb2ce..35d0b50 100644
--- a/docs/_build/html/searchindex.js
+++ b/docs/_build/html/searchindex.js
@@ -1 +1 @@
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"http": 2, "i": [0, 1, 2, 4], "idea": 2, "ideal": 0, "identifi": [1, 4], "import": 0, "includ": [0, 4], "index": [0, 1, 4], "index_spec": 0, "indic": 4, "individu": 2, "info": 4, "init_cond": 4, "initi": [3, 4], "input": [2, 4], "input_fits_fil": [], "inset": 4, "instal": 1, "instrument": 4, "int": 4, "intens": 2, "issu": 1, "iter": 4, "iter_n": 4, "its": 4, "job": 4, "journal": [], "jun": [], "kauffmann": 1, "ker_width_pix": 4, "ker_width_pixel": 4, "kernel": 4, "key1": [], "key2": [], "keyword": 4, "kinemat": [], "km": 4, "kwarg": 4, "l1": 4, "l2": 4, "lab": 1, "label": 4, "lam": 4, "lam_fit_rang": 4, "lam_ob": 4, "lam_rest": 4, "lam_search": 4, "lambda": 4, "larg": [1, 2], "larger": 2, "lawrenc": 1, "lbnl": [], "less": 4, "like": 4, "line": [0, 1, 4], "line1": 4, "line2": 4, "list": 4, "load": [0, 4], "local": [2, 4], "log": 4, "logscal": 4, "logwav": 4, "look": 4, "lot": 4, "m": 2, "machin": 2, "mai": 2, "main": 4, "mani": 4, "mask": 4, "master_list_of_pot_absorb": 4, "match": 4, 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4, "output": [2, 4], "output_fil": 4, "output_fits_fil": [], "over": 4, "own": 0, "packag": 1, "page": 1, "paper": 1, "parallel": [1, 2, 4], "parallel_convolution_method_absorber_finder_qso_spectra": 4, "param": 4, "paramet": [0, 4], "path": 4, "path_to_input_fits_fil": [], "path_to_output_fits_fil": [], "path_to_your_fil": 0, "pcov": 4, "perform": 4, "perr": 4, "ph": [], "pip": 2, "pixel": 4, "pleas": [0, 1, 2], "plot": 4, "plot_absorb": 4, "plot_filenam": 4, "pm_pixel": 4, "png": 4, "point": [0, 4], "popt": 4, "posit": [1, 4], "potenti": [1, 4], "power": 4, "prefer": 1, "prepar": 4, "previous": 4, "primaryclass": [], "print": 4, "process": [1, 2, 4], "profil": 4, "properti": [1, 4], "provid": [0, 2, 4], "py": [], "pytest": 2, "python": [1, 2], "qso": [0, 1, 2, 4], "qso_constants_fil": 0, "qso_test": [0, 2], "qsoabsfind": [0, 2], "qsoabsfind_plot": 4, "qsospecread": 4, "quadratur": 4, "quasar": [0, 1, 4], "question": 1, "ra": 0, "ra_qso": 0, "rais": 4, "rang": 4, "ratio": [0, 4], "raw": [], "read": [0, 2, 4], "read_fit": 4, "read_fits_fil": 4, "read_single_spectrum_and_find_absorb": 4, "real": 4, "redshift": [0, 4], "redshift_estim": 4, "refer": 1, "region": 4, "reject": [1, 4], "relat": 4, "remov": 4, "remove_mg_falsely_come_from_fe_absorb": 4, "remove_mg_falsely_identified_as_fe_absorb": [], "repo": 1, "requir": 0, "research": 1, "resi": 4, "residu": [0, 4], "residual_arr_after_mask": 4, "residual_our_z": 4, "resolut": 4, "resoult": 4, "rest": [0, 4], "result": [2, 4], "retriev": 4, "return": 4, "right": 2, "row": 4, "rule": 2, "run": [0, 4], "same": [0, 4], "sao": [], "save": 4, "save_param_arrai": 4, "save_param_error": 4, "save_plot": 4, "save_results_to_fit": 4, "scale": 4, "scheme": 4, "scipi": [2, 4], "script": 4, "sdss": [0, 1, 2, 4], "search": [0, 1, 4], "second": 4, "see": 1, "select": 4, "separ": 4, "set": 0, "sever": 2, "shift": 4, "should": [0, 4], "show": 4, "sigma": 4, "sigma1": 4, "sigma2": 4, "sigma_cr": 4, "signal": [0, 4], "simpl": 1, "sinc": [0, 4], "singl": 4, "single_gaussian": 4, "size": [2, 4], "smaller": 2, "sn1_all": 4, "sn2_all": 4, "sn_": 0, "sn_line1": 4, "sn_line2": 4, "snr": 4, "some": 4, "sourc": [1, 4], "spec_index": 4, "spec_indic": 4, "specifi": [0, 4], "spectra": [0, 1, 2, 4], "spectral": [0, 4], "spectrum": 4, "split": [2, 4], "stab871": [], "standard": 4, "start": 4, "std_fitted_obs_l1": 4, "std_fitted_obs_l2": 4, "str": 4, "strength": 4, "structur": [], "success": 4, "suggest": [1, 2], "survei": [0, 2], "system": 2, "taken": 4, "task": [0, 2], "test": [0, 2], "test_mgii": [0, 2], "tgtdetail": [], "than": [2, 4], "thi": [0, 1, 2, 4], "threshold": 4, "thumb": 2, "time": 4, "titl": 4, "toler": 4, "toloer": 4, "tool": [0, 1], "total": [0, 2, 4], "total_memori": 2, "true": 4, "tupl": 4, "two": 4, "type": 4, "ui": [], "uncertainti": 0, "uniqu": 4, "unittest": 2, "univers": [], "unmask": 4, "unmsk_error": 4, "unmsk_residu": 4, "up": 4, "updat": 4, "us": [0, 1, 4], "use_covari": 4, "use_kernel": 4, "user": [0, 4], "usual": 0, "v": 4, "valid": 4, "validate_s": 4, "valu": 4, "value1": [], "value2": [], "variabl": 0, "variou": 4, "vel_dispers": 4, "veloc": [0, 4], "verbos": 4, "versa": [], "version": 4, "vice": [], "volum": [], "want": [0, 4], "wave": 4, "wavelength": [0, 4], "weight": 4, "weighted_mean": 4, "when": 2, "where": 4, "which": [0, 2, 4], "width": [0, 1, 4], "window": 4, "within": 4, "without": 0, "work": [1, 4], "would": 2, "wrapper": 4, "write": [1, 4], "x": 4, "xlabel": 4, "y": 4, "year": [], "ylabel": 4, "you": [0, 1, 2], "your": [0, 1, 2], "your_nam": [0, 2], "z": [0, 4], "z_ab": 0, "z_abs_arrai": 4, "z_abs_err": 0, "z_abs_from_same_metal_absorb": 4, "z_after_group": 4, "z_corr": 4, "z_err": 4, "z_qso": [0, 4], "z_valu": 4, "zab": 4, "zoom": 4, "zqso": 4, "zshrc": 0}, "titles": ["File formats", "qsoabsfind\u2019s documentation", "Installation", "qsoabsfind Module", "Full qsoabsfind API reference"], "titleterms": {"": 1, "absfind": 4, "absorberutil": 4, "api": 4, "citat": 1, "clone": 2, "constant": 0, "contact": 1, "content": [1, 4], "document": 1, "ew": 4, "exampl": 2, "featur": 1, "file": 0, "fit": 0, "format": 0, "full": 4, "github": 1, "indic": 1, "input": 0, "instal": 2, "io": 4, "modul": [3, 4], "note": 2, "option": 0, "output": 0, "parallel_convolut": 4, "prerequisit": 2, "qsoabsfind": [1, 3, 4], "refer": 4, "repositori": [1, 2], "run": 2, "spec": 4, "structur": 0, "tabl": 1, "us": 2, "util": 4}})
\ No newline at end of file
diff --git a/docs/fileformat.rst b/docs/fileformat.rst
index e9fb60a..e6a107a 100644
--- a/docs/fileformat.rst
+++ b/docs/fileformat.rst
@@ -11,18 +11,27 @@ The input `fits file` must have the following HDU extensions:
 - **ERROR**: Error on residuals.
 - **METADATA**: Spectral details (such as Z_QSO, RA_QSO, DEC_QSO).
 
+I have also provided an example QSO spectra FITS file, `data/qso_test.fits`, which contains 500 continuum-normalized SDSS QSO spectra. You can use this file to test an example run as described below.
+
 Constant File (Optional)
 ------------------------
 
-Before using your own constant file, please set an environment variable `QSO_CONSTANTS_FILE` in your bashrc or zshrc file and point it to the qsoabsfind.constants file. As the code loads the constants from new file dynamically, it is important to define this environment variable.
+Before using your own constants file, please set an environment variable `QSO_CONSTANTS_FILE` in your `bashrc` or `zshrc` file, and point it to the `qsoabsfind.constants` file. Since the code dynamically loads constants from a new file, it is important to define this environment variable.
 
-The user-defined **constant-file** must follow the same structure as the `qsoabsfind.constants` file, otherwise, the code will fail. If you want to use the default search parameters, you can run the tool without the `constant-file` option.
+The user-defined **constants file** must follow the same structure as the `qsoabsfind.constants `_ file; otherwise, the code will fail. If you want to use the default search parameters, you can run the tool without specifying the `constant-file` option.
 
 Then run `qsoabsfind` with the required FITS file. If using a custom constant file, include it in the command:
 
 ::
 
-    qsoabsfind --input  [--constant-file ] --output 
+    qsoabsfind --input-fits-file data/qso_test.fits \
+               --n-qso 500 \
+               --absorber MgII \
+               --output test_MgII.fits \
+               --headers SURVEY=SDSS AUTHOR=YOUR_NAME \
+               --n-tasks 16 \
+               --ncpus 4
+               --constant-file path_to_your_file
 
 Output FITS File Structure
 --------------------------
@@ -31,11 +40,11 @@ The **output** `fits file` will have the `ABSORBER` HDU, containing arrays such
 
 - **INDEX_SPEC**: Index of quasar (can be used to read the RA, DEC, and Z of QSOs).
 - **Z_ABS**: Redshift of absorber.
-- **${METAL}_${line}_EW**: Rest-frame equivalent widths (EWs) of absorber lines (e.g., MgII 2796, 2803 or CIV 1548, 1550) in Angstroms.
-- **${METAL}_${line}_EW_ERROR**: Uncertainties in rest-frame EWs of absorber lines in Angstroms.
+- **${METAL}_${LINE}_EW**: Rest-frame equivalent widths (EWs) of absorber lines (e.g., MgII 2796, 2803 or CIV 1548, 1550) in Angstroms.
+- **${METAL}_${LINE}_EW_ERROR**: Uncertainties in rest-frame EWs of absorber lines in Angstroms.
 - **Z_ABS_ERR**: Measured error in the redshift of the absorber.
 - **GAUSS_FIT**: Rest-frame fitting parameters of double Gaussian to the absorber doublet (the width can be used to measure the velocity dispersion).
 - **GAUSS_FIT_STD**: Uncertainties in rest-frame fitting parameters of double Gaussian to the absorber doublet.
-- **SN_${METAL}_${line}**: Signal-to-noise ratio of the lines.
-- **${metal}_EW_TOTAL**: Total EW of the lines in Angstroms.
-- **${metal}_EW_TOTAL_ERROR**: Uncertainties in total EW of the lines in Angstroms.
+- **SN_${METAL}_${LINE}**: Signal-to-noise ratio of the lines.
+- **${METAL}_EW_TOTAL**: Total EW of the lines in Angstroms.
+- **${METAL}_EW_TOTAL_ERROR**: Uncertainties in total EW of the lines in Angstroms.
diff --git a/docs/index.rst b/docs/index.rst
index 9671708..d7ddaa2 100644
--- a/docs/index.rst
+++ b/docs/index.rst
@@ -26,7 +26,7 @@ Features
 GitHub repository
 -----------------
 
-The source code is available on GitHub. Please see the `qsoabsfind repo `_.
+The source code is available on GitHub. Please see the `qsoabsfind `_ repo.
 
 
 Citation
@@ -38,9 +38,10 @@ Please cite `Anand, Nelson & Kauffmann 2021 `_
 Contact
 -------
 
-Abhijeet Anand, LBNL
+| Abhijeet Anand
+| Lawrence Berkeley National Lab
 
-If you have any questions/suggestions, please feel free to write to abhijeetanand2011 [at] gmail.com
+If you have any questions/suggestions, please feel free to write to abhijeetanand2011 [at] gmail.com or, preferably, open a GitHub issue.
 
 
 Indices and tables
diff --git a/docs/installation.rst b/docs/installation.rst
index b9f11b5..c5d1c35 100644
--- a/docs/installation.rst
+++ b/docs/installation.rst
@@ -27,14 +27,27 @@ First, clone the repository to your local machine:
 Running example:
 ----------------
 
-Before running, please read :doc:`File formats `.
+Before running, please read :doc:`File formats `. I have provided an example QSO spectra FITS file, `data/qso_test.fits`, which contains 500 continuum-normalized SDSS QSO spectra. You can use this file to test an example run as described below.
 
 .. code-block:: bash
 
-    qsoabsfind --input-fits-file path_to_input_fits_file.fits \
-               --n-qso 1-1000:10 \
+    qsoabsfind --input-fits-file data/qso_test.fits \
+               --n-qso 500 \
                --absorber MgII \
-               --output path_to_output_fits_file.fits \
-               --headers KEY1=VALUE1 KEY2=VALUE2 \
+               --output test_MgII.fits \
+               --headers SURVEY=SDSS AUTHOR=YOUR_NAME \
                --n-tasks 16 \
                --ncpus 4
+
+Useful notes:
+-------------
+
+Parallel mode can be memory-intensive if the input FITS file is large in size. As the code accesses the FITS file to read QSO spectra when running in parallel, it can become a bottleneck for memory, and the code may fail. Currently, I suggest the following:
+
+   - **Divide your file into smaller chunks:** Split the FITS file into several smaller files, each containing approximately `N` spectra. Then run the code on these smaller files.
+
+   - **Use a rule of thumb for file size:** Ensure that the size of each individual file is no larger than `total_memory/ncpu` of your node or system. Based on this idea you can decide your `N`. I would suggest `N = 1000`.
+
+   - **Merge results at the end:** After processing, you can merge your results.
+
+In order to decide the right size of the FITS file, consider the total available memory and the number of CPUs in your system.
diff --git a/qsoabsfind/spec.py b/qsoabsfind/spec.py
index b1adde0..bdca700 100644
--- a/qsoabsfind/spec.py
+++ b/qsoabsfind/spec.py
@@ -8,7 +8,7 @@
 
 class QSOSpecRead:
     """
-    A class to read and handle QSO spectra from a FITS file containing FLUX, ERROR, WAVELENGTH, and TGTDETAILS extensions."""
+    A class to read and handle QSO spectra from a FITS file containing FLUX, ERROR, WAVELENGTH, and METADATA extensions."""
 
     def __init__(self, fits_file, index=None):
         """
@@ -35,12 +35,12 @@ def read_fits(self):
         self.flux, self.error, self.wavelength, self.metadata = read_fits_file(self.fits_file, self.index)
         elapsed(start_time, "\nTime taken to read FITS file")
 
-    def get_tgtdetails(self):
+    def get_metadata(self):
         """
-        Returns the TGTDETAILS data with keyword handling.
+        Returns the METADATA data with keyword handling.
 
         Returns:
-            dict: The tgtdetails data with keywords.
+            dict: The metadata data with keywords.
         """
         details_dict = {key: self.metadata[key] for key in self.metadata.dtype.names}
         return details_dict