ararpy 0.0.24__py3-none-any.whl → 0.1.11__py3-none-any.whl

ararpy/smp/info.py

@@ -0,0 +1,23 @@
+#  Copyright (C) 2024 Yang. - All Rights Reserved
+
+# !/usr/bin/env python
+# -*- coding: UTF-8 -*-
+"""
+# ==========================================
+# Copyright 2024 Yang 
+# ararpy - info
+# ==========================================
+#
+#
+# 
+"""
+
+
+def name(smp, n: str = None):
+    if n is None:
+        return smp.Info.sample.name
+    elif isinstance(n, str):
+        smp.Info.sample.name = n
+        return n
+    else:
+        raise ValueError(f"{n} is not a string")

ararpy/smp/initial.py

@@ -31,7 +31,7 @@ plateau_res_keys = [
     'F', 'sF', 'Num', 'MSWD', 'Chisq', 'Pvalue', 'age', 's1', 's2', 's3', 'Ar39',
     'rs',  # 'rs' means relative error of the total sum
 ]
-PLATEAU_RES = dict(zip(plateau_res_keys, [np.nan] * len(plateau_res_keys)))
+PLATEAU_RES = dict(zip(plateau_res_keys, [np.nan for i in plateau_res_keys]))
 iso_res_keys = [
     'k', 'sk', 'm1', 'sm1',
     'MSWD', 'abs_conv', 'iter', 'mag', 'R2', 'Chisq', 'Pvalue',
@@ -40,7 +40,14 @@ iso_res_keys = [
     'conv', 'initial', 'sinitial', 'F', 'sF',
 ]
 ISO_RES = dict(zip(
-    iso_res_keys, [np.nan] * len(iso_res_keys))
+    iso_res_keys, [np.nan for i in iso_res_keys])
+)
+spectra_res_keys = [
+    'F', 'sF', 'Num', 'MSWD', 'Chisq', 'Pvalue', 'age', 's1', 's2', 's3', 'Ar39',
+    'rs',  # 'rs' means relative error of the total sum
+]
+SPECTRA_RES = dict(zip(
+    spectra_res_keys, [np.nan for i in spectra_res_keys])
 )
 
 
@@ -100,21 +107,25 @@ def create_sample_from_dict(content: dict, smp_info: dict):
     smp.SelectedSequence1 = [index for index, item in enumerate(smp.IsochronMark) if item == 1]
     smp.SelectedSequence2 = [index for index, item in enumerate(smp.IsochronMark) if item == 2]
     smp.UnselectedSequence = [index for index, item in enumerate(smp.IsochronMark) if item not in [1, 2]]
+    #
+    smp.Info.results.selection[0]['data'] = smp.SelectedSequence1
+    smp.Info.results.selection[1]['data'] = smp.SelectedSequence2
+    smp.Info.results.selection[2]['data'] = smp.UnselectedSequence
 
     return smp
 
 
 def initial(smp: Sample):
     # 已更新 2023/7/4
-    smp.TotalParam = arr.create_arr((123, 0))
-    smp.BlankIntercept = arr.create_arr((10, 0))
-    smp.SampleIntercept = arr.create_arr((10, 0))
-    smp.PublishValues = arr.create_arr((11, 0))
+    smp.TotalParam = arr.create_arr((len(samples.TOTAL_PARAMS_HEADERS) - 2, 0))
+    smp.BlankIntercept = arr.create_arr((len(samples.BLANK_INTERCEPT_HEADERS) - 2, 0))
+    smp.SampleIntercept = arr.create_arr((len(samples.SAMPLE_INTERCEPT_HEADERS) - 2, 0))
+    smp.PublishValues = arr.create_arr((len(samples.PUBLISH_TABLE_HEADERS) - 2, 0))
     smp.DecayCorrected = arr.create_arr((10, 0))
-    smp.CorrectedValues = arr.create_arr((10, 0))
-    smp.DegasValues = arr.create_arr((32, 0))
-    smp.ApparentAgeValues = arr.create_arr((8, 0))
-    smp.IsochronValues = arr.create_arr((47, 0))
+    smp.CorrectedValues = arr.create_arr((len(samples.CORRECTED_HEADERS) - 2, 0))
+    smp.DegasValues = arr.create_arr((len(samples.DEGAS_HEADERS) - 2, 0))
+    smp.ApparentAgeValues = arr.create_arr((len(samples.SPECTRUM_TABLE_HEADERS) - 2, 0))
+    smp.IsochronValues = arr.create_arr((len(samples.ISOCHRON_TABLE_HEADERS) - 3, 0))
 
     # Doi
     if not hasattr(smp, 'Doi') or getattr(smp, 'Doi') in (None, ""):
@@ -122,9 +133,9 @@ def initial(smp: Sample):
 
     # Info
     setattr(smp, 'Info', ArArBasic(
-        id='0', name='info', attr_name='Info',
+        id='0', name='info', attr_name='Info', arr_version=samples.VERSION,
         sample=ArArBasic(
-            name='SAMPLE NAME', material='MATERIAL', location='LOCATION'
+            name='SAMPLE NAME', material='MATERIAL', location='LOCATION', type='Unknown'
         ),
         researcher=ArArBasic(
             name='RESEARCHER', addr='ADDRESS', email='EMAIL'
@@ -152,7 +163,15 @@ def initial(smp: Sample):
             },
             age_plateau={
                 0: copy.deepcopy(PLATEAU_RES), 1: copy.deepcopy(PLATEAU_RES), 2: copy.deepcopy(PLATEAU_RES)},
-            age_spectra={},
+            age_spectra={
+                'TGA': copy.deepcopy(SPECTRA_RES),
+                0: copy.deepcopy(SPECTRA_RES), 1: copy.deepcopy(SPECTRA_RES), 2: copy.deepcopy(SPECTRA_RES),
+            },
+            selection={
+                0: {'data': [], 'name': 'set1'},
+                1: {'data': [], 'name': 'set2'},
+                2: {'data': [], 'name': 'set3'}
+            }
         ),
         reference=ArArBasic(
             name='REFERENCE', journal='JOURNAL', doi='DOI'
@@ -242,7 +261,7 @@ def check_version(smp: Sample):
 
     Parameters
     ----------
-    sample
+    smp
 
     Returns
     -------
@@ -287,8 +306,10 @@ def from_arr_files(file_path, sample_name: str = ""):
             renamed_module = module
             if '.sample' in module and module != SAMPLE_MODULE:
                 renamed_module = SAMPLE_MODULE
-
-            return super(RenameUnpickler, self).find_class(renamed_module, name)
+            try:
+                return super(RenameUnpickler, self).find_class(renamed_module, name)
+            except AttributeError:
+                return super(RenameUnpickler, self).find_class(renamed_module, 'ArArBasic')
 
     def renamed_load(file_obj):
         return RenameUnpickler(file_obj).load()
@@ -391,10 +412,8 @@ def from_raw_data(raw: RawData, mapping: Optional[List[dict]] = None) -> Sample:
         else:
             blank: Sequence = raw.get_sequence(row['blank'], flag='name')
         for i in range(5):
-            row_unknown_intercept = arr.multi_append(
-                row_unknown_intercept, *unknown.results[i][unknown.fitting_method[i]][:2])
-            row_blank_intercept = arr.multi_append(
-                row_blank_intercept, *blank.results[i][unknown.fitting_method[i]][:2])
+            row_unknown_intercept = arr.multi_append(row_unknown_intercept, *unknown.results[i][int(unknown.fitting_method[i])][:2])
+            row_blank_intercept = arr.multi_append(row_blank_intercept, *blank.results[i][int(blank.fitting_method[i])][:2])
 
         unknown_intercept.append(row_unknown_intercept)
         blank_intercept.append(row_blank_intercept)
@@ -407,6 +426,10 @@ def from_raw_data(raw: RawData, mapping: Optional[List[dict]] = None) -> Sample:
     sample.UnselectedSequence = list(range(len(sample.SequenceName)))
     sample.SelectedSequence1 = []
     sample.SelectedSequence2 = []
+    #
+    sample.Info.results.selection[0]['data'] = sample.SelectedSequence1
+    sample.Info.results.selection[1]['data'] = sample.SelectedSequence2
+    sample.Info.results.selection[2]['data'] = sample.UnselectedSequence
 
     table.update_table_data(sample)  # Update table after submission row data and calculation
 

ararpy/smp/json.py

@@ -13,7 +13,7 @@
 import json
 import numpy as np
 import pandas as pd
-from .sample import Sample, Info, Table, Plot, RawData, Sequence, ArArBasic
+from .sample import Sample, Table, Plot, RawData, Sequence, ArArBasic
 
 
 def dumps(a):
@@ -41,7 +41,7 @@ class MyEncoder(json.JSONEncoder):
         if isinstance(obj, (np.int8, np.int16, np.int32, np.int64)):
             return int(obj)
         # sample or raw instance
-        if isinstance(obj, (Sample, Info, Plot, Table, Plot.Text, Plot.Axis, Plot.Label,
+        if isinstance(obj, (Sample, Plot, Table, Plot.Text, Plot.Axis, Plot.Label,
                             Plot.Set, Plot.BasicAttr, RawData, Sequence, ArArBasic)):
             if isinstance(obj, Sequence):
                 return dict(obj.__dict__, **{

ararpy/smp/plots.py

@@ -17,7 +17,7 @@ from scipy.signal import find_peaks
 
 
 from .. import calc
-from .sample import Sample, Info, Table, Plot
+from .sample import Sample, Table, Plot
 from . import basic, initial
 
 Set = Plot.Set
@@ -124,8 +124,12 @@ def initial_plot_data(sample: Sample):
         total_age = basic.calc_age(total_f[:2], smp=sample)
     except (Exception, BaseException):
         print(traceback.format_exc())
+        total_f = [np.nan] * 2
         total_age = [np.nan] * 4
-    sample.Info.results.age_spectra.update(dict(zip(['age', 's1', 's2', 's3'], total_age)))
+    sample.Info.results.age_spectra['TGA'].update(
+        {'Ar39': 100, 'F': total_f[0], 'sF': total_f[1], 'age': total_age[0],
+         's1': total_age[1], 's2': total_age[2], 's3': total_age[3], 'Num': len(sample.DegasValues[24])}
+    )
     try:
         sample.AgeSpectraPlot.data = calc.spectra.get_data(
             *sample.ApparentAgeValues[2:4], sample.ApparentAgeValues[7])
@@ -184,26 +188,26 @@ def recalc_isochrons(sample: Sample, **kwargs):
             continue
         figure = basic.get_component_byid(sample, key)
         figure.set3.data, figure.set1.data, figure.set2.data = \
-            sample.UnselectedSequence, sample.SelectedSequence1, sample.SelectedSequence2
+            sample.UnselectedSequence.copy(), sample.SelectedSequence1.copy(), sample.SelectedSequence2.copy()
         for index, sequence in enumerate([figure.set1.data, figure.set2.data, figure.set3.data]):
             set_data = calc.arr.partial(
                 sample.IsochronValues, rows=sequence, cols=list(range(*val['data_index'])))
             if key != 'figure_7':
                 iso_res = get_isochron_results(
-                    set_data, figure_type=val["figure_type"], sample=sample, sequence=sequence)
+                    set_data, figure_type=val["figure_type"], smp=sample, sequence=sequence)
                 sample.Info.results.isochron[figure.id].update({index: iso_res})
             else:
                 iso_res = get_3D_results(data=set_data, sequence=sequence, sample=sample)
                 sample.Info.results.isochron[figure.id].update({index: iso_res})
 
 
-def get_isochron_results(data: list, sample, sequence, figure_type: int = 0):
+def get_isochron_results(data: list, smp: Sample, sequence, figure_type: int = 0):
     """
     Get isochron figure results based on figure type.
     Parameters
     ----------
     data : isochron figure data, 5 columns list
-    sample : sample instance
+    smp : sample instance
     sequence : data section index
     figure_type : int, 0 for normal isochron, 1 for inverse isochron, 2 for K-Cl-Ar plot 3
 
@@ -227,27 +231,32 @@ def get_isochron_results(data: list, sample, sequence, figure_type: int = 0):
 
     if len(sequence) < 3:
         return iso_res
-
+    regression_method = {
+        "york-2": calc.regression.york2, "olst": calc.regression.olst
+    }.get(smp.TotalParam[97][min(sequence)].lower(), calc.regression.york2)
     try:
-        york_res = calc.regression.york2(*data[0:5])
+        regression_res = regression_method(*data[:5])
     except (Exception, BaseException):
         print(f"Warning: {traceback.format_exc()}")
         return iso_res
     else:
-        iso_res.update(dict(zip(reg_res_index, calc.regression.york2(*data[0:5]))))
+        iso_res.update(dict(zip(reg_res_index, regression_res)))
         if figure_type == 1:
-            iso_res.update(zip(['initial', 'sinitial'], york_res[0:2]))
-            iso_res.update(zip(['F', 'sF'], york_res[2:4]))
+            iso_res.update(zip(['initial', 'sinitial'], regression_res[0:2]))
+            iso_res.update(zip(['F', 'sF'], regression_res[2:4]))
         elif figure_type == 2:
-            iso_res.update(zip(['initial', 'sinitial'], calc.arr.rec(york_res[0:2])))
-            k = calc.regression.york2(*data[2:4], *data[0:2], data[4])
+            iso_res.update(zip(['initial', 'sinitial'], calc.arr.rec(regression_res[0:2])))
+            k = regression_method(*data[2:4], *data[0:2], data[4])
             iso_res.update(zip(['F', 'sF'], calc.arr.rec(k[0:2])))
         elif figure_type == 3:
-            iso_res.update(zip(['initial', 'sinitial'], york_res[2:4]))
-            iso_res.update(zip(['F', 'sF'], york_res[0:2]))
+            iso_res.update(zip(['initial', 'sinitial'], regression_res[2:4]))
+            iso_res.update(zip(['F', 'sF'], regression_res[0:2]))
     # age, analytical err, internal err, full external err
-    age = basic.calc_age([iso_res['F'], iso_res['sF']], smp=sample)
-    iso_res.update(dict(zip(age_res_index, age)))
+    try:
+        age = basic.calc_age([iso_res['F'], iso_res['sF']], smp=smp)
+        iso_res.update(dict(zip(age_res_index, age)))
+    except ValueError:
+        pass
     return iso_res
 
 
@@ -329,6 +338,7 @@ def reset_isochron_line_data(smp: Sample):
                 coeffs = [smp.Info.results.isochron[k][index]['k'], smp.Info.results.isochron[k][index]['m1']]
                 line_point = calc.isochron.get_line_points(xscale, yscale, coeffs)
                 setattr(getattr(v, ['line1', 'line2'][index]), 'data', line_point)
+                setattr(getattr(v, ['text1', 'text2'][index]), 'text', "")  # 注意和js的配合，js那边根据text是否为空判断是否重新生成文字
             except Exception:
                 # print(traceback.format_exc())
                 continue
@@ -362,12 +372,25 @@ def set_selection(smp: Sample, index: int, mark: int):
     smp.IsochronMark = [
         1 if i in smp.SelectedSequence1 else 2 if i in smp.SelectedSequence2 else '' for i in
         range(len(smp.IsochronValues[2]))]
+    #
+    smp.Info.results.selection[0]['data'] = smp.SelectedSequence1
+    smp.Info.results.selection[1]['data'] = smp.SelectedSequence2
+    smp.Info.results.selection[2]['data'] = smp.UnselectedSequence
 
 
 # =======================
 # Age spectra results
 # =======================
 def recalc_plateaus(sample: Sample, **kwargs):
+    if sample.Info.sample.type == "Unknown":
+        return recalc_age_plateaus(sample, **kwargs)
+    if sample.Info.sample.type == "Standard":
+        return recalc_j_plateaus(sample, **kwargs)
+    if sample.Info.sample.type == "Air":
+        return recalc_j_plateaus(sample, **kwargs)
+
+
+def recalc_age_plateaus(sample: Sample, **kwargs):
     """
     Calculate age plateaus results
     Parameters
@@ -409,18 +432,38 @@ def recalc_plateaus(sample: Sample, **kwargs):
         set1_res, set1_age, set1_data = \
             get_plateau_results(sample, sample.SelectedSequence1, calc_ar40ar39(*ratio_set1, smp=sample))
     except ValueError:
-        raise ValueError(f"Set 1 Plateau results calculation error.")
+        pass
+        # raise ValueError(f"Set 1 Plateau results calculation error.")
     else:
         sample.Info.results.age_plateau.update({0: set1_res})
         sample.AgeSpectraPlot.set1.data = calc.arr.transpose(set1_data)
+        sample.AgeSpectraPlot.text1.text = ""  # 注意和js的配合，js那边根据text是否为空判断是否重新生成文字
     try:
         set2_res, set2_age, set2_data = \
             get_plateau_results(sample, sample.SelectedSequence2, calc_ar40ar39(*ratio_set2, smp=sample))
     except ValueError:
-        raise ValueError(f"Set 2 Plateau results calculation error.")
+        pass
+        # raise ValueError(f"Set 2 Plateau results calculation error.")
     else:
         sample.Info.results.age_plateau.update({1: set2_res})
         sample.AgeSpectraPlot.set2.data = calc.arr.transpose(set2_data)
+        sample.AgeSpectraPlot.text2.text = ""  # 注意和js的配合，js那边根据text是否为空判断是否重新生成文字
+
+    # Get weighted mean ages of two sets
+    try:
+        set1_res = get_wma_results(sample, sample.SelectedSequence1)
+    except ValueError:
+        pass
+        # raise ValueError(f"Set 1 WMA calculation error.")
+    else:
+        sample.Info.results.age_spectra.update({0: set1_res})
+    try:
+        set2_res = get_wma_results(sample, sample.SelectedSequence2)
+    except ValueError:
+        pass
+        # raise ValueError(f"Set 2 WMA calculation error.")
+    else:
+        sample.Info.results.age_spectra.update({1: set2_res})
 
     # # """3D corrected plateaus"""
     # # 3D ratio, 36Ar(a+cl)/40Ar(a+r), 38Ar(a+cl)/40Ar(a+r), 39Ar(k)/40Ar(a+r),
@@ -553,7 +596,7 @@ def get_plateau_results(sample: Sample, sequence: list, ar40rar39k: list = None,
         'F', 'sF', 'Num', 'MSWD', 'Chisq', 'Pvalue', 'age', 's1', 's2', 's3', 'Ar39',
         'rs',  # 'rs' means relative error of the total sum
     ]
-    plateau_res = dict(zip(plateau_res_keys, [np.nan] * len(plateau_res_keys)))
+    plateau_res = dict(zip(plateau_res_keys, [np.nan for i in plateau_res_keys]))
 
     def _get_partial(points, *args):
         return [arg[min(points): max(points) + 1] for arg in args]
@@ -579,6 +622,94 @@ def get_plateau_results(sample: Sample, sequence: list, ar40rar39k: list = None,
     return plateau_res, age, plot_data
 
 
+def get_wma_results(sample: Sample, sequence: list):
+    """
+    Get initial ratio re-corrected plateau results
+    Parameters
+    ----------
+    sample : sample instance
+    sequence : data slice index
+
+    Returns
+    -------
+    three itmes tuple, result dict, age, and plot data, results keys = [
+        'F', 'sF', 'Num', 'MSWD', 'Chisq', 'Pvalue',
+        'age', 's1', 's2', 's3', 'Ar39', 'rs'
+    ]
+    """
+    spectra_res = initial.SPECTRA_RES.copy()
+    # spectra_res = initial.SPECTRA_RES
+
+    def _get_partial(points, *args):
+        return [arg[min(points): max(points) + 1] for arg in args]
+
+    if len(sequence) > 0:
+        sum_ar39k = sum(_get_partial(sequence, sample.ApparentAgeValues[7])[0])
+        fs = _get_partial(sequence, sample.ApparentAgeValues[0])[0]
+        sfs = _get_partial(sequence, sample.ApparentAgeValues[1])[0]
+
+        wmf, swmf, num, mswd, chisq, p = calc.arr.wtd_mean(fs, sfs)
+        age, s1, s2, s3 = basic.calc_age([wmf, swmf], smp=sample)
+
+        spectra_res.update({
+            'age': age, 's1': s1, 's2': s2, 's3': s3, 'Num': num, 'MSWD': mswd, 'Chisq': chisq, 'Pvalue': p,
+            'F': wmf, 'sF': swmf, 'Ar39': sum_ar39k
+        })
+    return spectra_res
+
+
+def recalc_j_plateaus(sample: Sample, **kwargs):
+
+    print(f"Recalc J plateau")
+
+    j = sample.ApparentAgeValues[2:4]
+
+    try:
+        set1_res, _, set1_data = \
+            get_j_plateau_results(sample, sample.SelectedSequence1, j)
+    except ValueError:
+        pass
+    else:
+        sample.Info.results.age_plateau.update({0: set1_res})
+        sample.AgeSpectraPlot.set1.data = calc.arr.transpose(set1_data)
+        sample.AgeSpectraPlot.text1.text = ""  # 注意和js的配合，js那边根据text是否为空判断是否重新生成文字
+
+    try:
+        set2_res, _, set2_data = \
+            get_j_plateau_results(sample, sample.SelectedSequence2, j)
+    except ValueError:
+        pass
+    else:
+        sample.Info.results.age_plateau.update({1: set2_res})
+        sample.AgeSpectraPlot.set2.data = calc.arr.transpose(set2_data)
+        sample.AgeSpectraPlot.text2.text = ""  # 注意和js的配合，js那边根据text是否为空判断是否重新生成文字
+
+
+def get_j_plateau_results(sample: Sample, sequence: list, j: list, ar39k_percentage: list = None):
+
+    def _get_partial(points, *args):
+        # return [arg[min(points): max(points) + 1] for arg in args]
+        return [[arg[i] for i in points] for arg in args]
+
+    if ar39k_percentage is None:
+        ar39k_percentage = sample.ApparentAgeValues[7]
+    sum_ar39k = sum(_get_partial(sequence, ar39k_percentage)[0])
+
+    j_values = _get_partial(sequence, *j)
+    wmj = calc.arr.wtd_mean(*j_values)
+    plot_data = [[sum(ar39k_percentage[:min(sequence)]), sum(ar39k_percentage[:max(sequence) + 1])],
+                 [wmj[0], wmj[0]]]
+
+    plateau_res_keys = [
+        'F', 'sF', 'Num', 'MSWD', 'Chisq', 'Pvalue', 'age', 's1', 's2', 's3', 'Ar39',
+        'rs',  # 'rs' means relative error of the total sum
+    ]
+    plateau_res = dict(zip(plateau_res_keys, [np.nan for i in plateau_res_keys]))
+    plateau_res.update(dict(zip(plateau_res_keys, [*wmj, np.nan, np.nan, np.nan, np.nan, sum_ar39k, np.nan])))
+
+    return plateau_res, 0, plot_data
+
+
 # =======================
 # Age Distribution Plot
 # =======================

ararpy/smp/raw.py

@@ -41,18 +41,17 @@ def to_raw(file_path: Union[str, List[str]], input_filter_path: Union[str, List[
     -------
 
     """
-    if isinstance(input_filter_path, list) and len(input_filter_path) == 1:
-        input_filter_path: str = input_filter_path[0]
-    if isinstance(file_path, list) and len(file_path) == 1:
-        file_path: str = file_path[0]
     if isinstance(file_path, list) and isinstance(input_filter_path, list):
         raw = concatenate([to_raw(file, input_filter_path[index]) for index, file in enumerate(file_path)])
     elif isinstance(file_path, str) and isinstance(input_filter_path, str):
         input_filter = read_params(input_filter_path)
-        res = raw_file.open_file(file_path, input_filter)
         file_name = str(os.path.split(file_path)[-1]).split('.')[0]
-        raw = RawData(name=file_name, data=res['data'], isotopic_num=10, sequence_num=len(res['data']),
-                      source=[file_path])
+        res = raw_file.open_file(file_path, input_filter)
+        data = res.get('data', None)
+        sequences = res.get('sequences', None)
+        sequence_num = len(data) if data is not None else len(sequences)
+        raw = RawData(name=file_name, data=data, isotopic_num=10, sequence_num=sequence_num,
+                      source=[file_path], sequence=sequences, unit=str(input_filter[30]))
     else:
         raise ValueError("File path and input filter should be both string or list with a same length.")
     return raw
@@ -68,23 +67,30 @@ def concatenate(raws: List[RawData]):
     -------
 
     """
-    name = []
+    step_names = []
 
     def resort_sequence(seq: Sequence, index):
         count = 0
-        while seq.name in name:
+        while seq.name in step_names:
             # rename
+            if count == 0:
+                seq.name = f"{seq.name}-{index + 1}"
+            else:
+                seq.name = f"{seq.name} ({count})"
             count = count + 1
-            seq.name = seq.name + f"({count})"
-        name.append(seq.name)
+        step_names.append(seq.name)
         seq.index = index
+        seq.is_removed = hasattr(seq, "is_removed") and seq.is_removed is True
         return seq
 
     source = [_source for _raw in raws for _source in _raw.source]
+    unit = set([_raw.unit for _raw in raws])
+    unit = list(unit)[0] if len(unit) == 1 else 'Unknown Unit'
     sequence = [resort_sequence(seq, index) for index, seq in enumerate([i for _raw in raws for i in _raw.sequence])]
     sequence_num = len(sequence)
-    return RawData(name='concatenated', source=source, isotopic_num=10, sequence_num=sequence_num,
-                   sequence=sequence)
+    exp_names = list(set([_raw.name for _raw in raws]))
+    return RawData(name='&'.join(exp_names), source=source, isotopic_num=10,
+                   sequence_num=sequence_num, sequence=sequence, unit=unit)
 
 
 def get_sequence(raw: RawData, index: Optional[Union[list, int, str, bool]] = None,
@@ -126,7 +132,6 @@ def do_regression(raw: RawData, sequence_index: Optional[List] = None, isotopic_
     raw
     sequence_index
     isotopic_index
-    flag
 
     Returns
     -------
@@ -147,6 +152,7 @@ def do_regression(raw: RawData, sequence_index: Optional[List] = None, isotopic_
         for index, isotope in enumerate(selected):
             if hasattr(isotopic_index, '__getitem__') and index not in isotopic_index:
                 continue
+            # print(f"regression for {sequence.name = }, isotope {index = }")
             res = raw_funcs.get_raw_data_regression_results(isotope)
             try:
                 sequence.results[index] = res[1]