Working with Real Life Data

In this particular example, the data are flavored with some random-noise generated by np.random and the data are saved in the *.csv file format including a header.

data.csv
Scdoc
_index,Energy,Intensity,Noisy
0,-1.6,0.0,0.04008584898760459
1,-1.5833333333333335,0.003891050583657596,0.04750414409524225
2,-1.5666666666666669,0.003973071404922201,0.03510399915254631
3,-1.5500000000000003,0.00405770964833183,0.05632172083076319
4,-1.5333333333333337,0.0041450777202072485,0.01232860798641571
5,-1.516666666666667,0.004235294117647068,0.05302472496914309
6,-1.5000000000000004,0.0043284838283034685,0.07525857347111906
7,-1.4833333333333338,0.004424778761061949,0.026283276349644155
8,-1.4666666666666672,0.004524318210380788,0.011585214896062204
9,-1.4500000000000006,0.0046272493573264635,0.0915722853744314
10,-1.433333333333334,0.004733727810650881,0.04465407821401557
11,-1.4166666666666674,0.004843918191603862,0.06827239306435148
12,-1.4000000000000008,0.004957994766561084,0.05586439899783531
13,-1.383333333333334,0.005076142131979685,0.0519569913045801
14,-1.3666666666666676,0.005198555956678712,0.04529476745152189
15,-1.3500000000000008,0.0053254437869822225,0.046140549452885406
16,-1.3333333333333344,0.005457025920873108,0.023525144931402578
17,-1.3166666666666675,0.005593536357986327,0.09585723752299317
18,-1.3000000000000012,0.0057352238330412595,0.07127922424213151
19,-1.2833333333333343,0.005882352941176454,0.10508559185076881
20,-1.266666666666668,0.006035205364626978,0.08420060928031715
21,-1.250000000000001,0.006194081211286973,0.017085686334549988
22,-1.2333333333333347,0.006359300476947529,0.03344672102794343
23,-1.216666666666668,0.00653120464441218,0.00830761072647146
24,-1.2000000000000015,0.006710158434296354,0.0691372440712335
25,-1.183333333333335,0.006896551724137925,0.08700263994353065
26,-1.1666666666666683,0.007090801654520351,0.08565019188726043
27,-1.1500000000000017,0.0072933549432738845,0.018466410525855743
28,-1.133333333333335,0.007504690431519682,0.10126968931392635
29,-1.1166666666666685,0.0077253218884119875,0.09002669232719052
30,-1.1000000000000019,0.007955801104972366,0.06492669387530689
31,-1.0833333333333353,0.008196721311475363,0.012283949013776264
32,-1.0666666666666687,0.008448720957521673,0.051160376096648155
33,-1.050000000000002,0.008712487899322318,0.10076720629983352
34,-1.0333333333333354,0.00898876404494378,0.06455063829584042
35,-1.0166666666666688,0.009278350515463833,0.085381815664481
36,-1.0000000000000022,0.009582113388341695,0.10165223781514847
37,-0.9833333333333357,0.009900990099009844,0.025570057103461108
38,-0.966666666666669,0.010235996588001109,0.02228295793177043
39,-0.9500000000000025,0.010588235294117582,0.017739377314671997
40,-0.9333333333333358,0.010958904109588984,0.04422978316861217
41,-0.9166666666666691,0.011349306431273604,0.019761263525689472
42,-0.9000000000000026,0.011760862463247207,0.04629885183574297
43,-0.8833333333333359,0.012195121951219443,0.053064400715557736
44,-0.8666666666666692,0.012653778558875128,0.08947490450789104
45,-0.8500000000000028,0.013138686131386808,0.06483319245975283
46,-0.8333333333333361,0.013651877133105715,0.04409090800604787
47,-0.8166666666666694,0.014195583596214404,0.09857042115474708
48,-0.8000000000000029,0.014772260976610463,0.022608811796422504
49,-0.7833333333333363,0.015384615384615235,0.10076241702814402
50,-0.7666666666666697,0.01603563474387513,0.028729376733513383
51,-0.750000000000003,0.016728624535315855,0.0870234230693911
52,-0.7333333333333365,0.01746724890829681,0.0676497631364179
53,-0.7166666666666699,0.018255578093306146,0.028544877331387865
54,-0.7000000000000033,0.01909814323607401,0.10175610090705829
55,-0.6833333333333367,0.019999999999999855,0.027299661470373895
56,-0.6666666666666701,0.02096680256260904,0.1131043218039902
57,-0.6500000000000035,0.02200488997554988,0.05118797301708643
58,-0.6333333333333369,0.02312138728323678,0.03441361033656606
59,-0.6166666666666702,0.02432432432432412,0.05285021270123045
60,-0.6000000000000036,0.02562277580071142,0.10660843091638031
61,-0.5833333333333369,0.02702702702702668,0.11737509073867693
62,-0.5666666666666704,0.028548770816811748,0.12134799195481201
63,-0.5500000000000038,0.030201342281878873,0.04041597381074299
64,-0.5333333333333372,0.03199999999999956,0.12293189388817057
65,-0.5166666666666706,0.03396226415094291,0.05556963189399414
66,-0.500000000000004,0.03610832497492419,0.08828987053748896
67,-0.48333333333333733,0.0384615384615379,0.13299541447675434
68,-0.4666666666666708,0.04104903078677245,0.1368883871498967
69,-0.4500000000000042,0.04390243902438932,0.12557018387213875
70,-0.4333333333333376,0.04705882352941089,0.10858972370468452
71,-0.41666666666667096,0.05056179775280797,0.14038099626448797
72,-0.4000000000000044,0.054462934947048874,0.14696995552122566
73,-0.38333333333333774,0.058823529411763525,0.11827481099647273
74,-0.36666666666667114,0.0637168141592905,0.12310013634836614
75,-0.3500000000000045,0.06923076923076783,0.12389921713852828
76,-0.3333333333333379,0.07547169811320567,0.12541817310963077
77,-0.31666666666667126,0.08256880733944734,0.08913053803943821
78,-0.3000000000000047,0.09068010075566536,0.158725588571065
79,-0.2833333333333381,0.09999999999999735,0.12271184899825521
80,-0.2666666666666715,0.11076923076922764,0.11988078158746927
81,-0.2500000000000049,0.12328767123287268,0.19089360574178527
82,-0.23333333333333828,0.137931034482754,0.19399955030212906
83,-0.21666666666667167,0.15517241379309754,0.18670514823813245
84,-0.20000000000000503,0.1756097560975534,0.20809899253733338
85,-0.18333333333333843,0.19999999999999216,0.23171652798758308
86,-0.16666666666667185,0.22929936305731488,0.2484093442785573
87,-0.15000000000000524,0.2647058823529294,0.3310743928003237
88,-0.13333333333333863,0.3076923076922934,0.36684994465354487
89,-0.11666666666667203,0.35999999999998283,0.3891363703418967
90,-0.1000000000000054,0.42352941176468273,0.46941956893213543
91,-0.08333333333333881,0.49999999999997286,0.5580343781043237
92,-0.0666666666666722,0.590163934426198,0.5954783032481118
93,-0.0500000000000056,0.6923076923076551,0.741052184253777
94,-0.03333333333333899,0.7999999999999646,0.838197602601856
95,-0.01666666666667238,0.8999999999999696,0.9513897921608991
96,-5.773159728050815e-15,0.972972972972956,0.9991456688422116
97,0.016666666666660834,1.0,1.0900891532152457
98,0.03333333333332744,0.9729729729729932,0.9973225325465217
99,0.04999999999999405,0.9000684869288876,0.906261276926932
100,0.06666666666666066,0.8003319898391893,0.8241812742665023
101,0.08333333333332726,0.6926622009062817,0.7832498289548987
102,0.09999999999999389,0.5905260079579859,0.6185705157749193
103,0.11666666666666048,0.5003698828803956,0.5147752382697125
104,0.1333333333333271,0.423907359037742,0.4950946246505369
105,0.14999999999999367,0.36038627792143624,0.42632631143218236
106,0.1666666666666603,0.3080871943516519,0.3960140991859387
107,0.18333333333332688,0.26510966833725974,0.29118083146951984
108,0.19999999999999352,0.229712352160166,0.2944689348278017
109,0.21666666666666007,0.200422509979045,0.2741346452275327
110,0.23333333333332676,0.17604211948496107,0.23555118065288444
111,0.2499999999999933,0.15561497876280292,0.19611365068308828
112,0.26666666666665995,0.1383841657795379,0.22837404698823588
113,0.2833333333333265,0.12375175116828944,0.13640801157284446
114,0.2999999999999932,0.11124466029010888,0.16703332815641658
115,0.31666666666665977,0.1008615472585792,0.11178903951413714
116,0.3333333333333264,0.09156616328472589,0.1112347183283852
117,0.349999999999993,0.08347578183738227,0.13157636117103375
118,0.3666666666666596,0.07640033803343374,0.09334455581051235
119,0.38333333333332614,0.07018186486213082,0.10827469912745401
120,0.3999999999999928,0.06469119491649024,0.16107569440222647
121,0.41666666666665936,0.05982206629964605,0.1474982352074414
122,0.433333333333326,0.05548654321439518,0.14326598821917524
123,0.44999999999999263,0.05161143975291705,0.13149136546810222
124,0.4666666666666592,0.04813551180660481,0.1244863052388569
125,0.4833333333333258,0.04500723964762217,0.11840749611563044
126,0.4999999999999925,0.042183066953828376,0.060512417201576546
127,0.5166666666666592,0.03962599439990947,0.05089691387743661
128,0.5333333333333257,0.03762979151803755,0.08591736551599109
129,0.5499999999999923,0.0355235772582584,0.06527515557301339
130,0.5666666666666589,0.033602772665341465,0.10263523116034959
131,0.5833333333333255,0.03184727712998013,0.050326502266943594
132,0.5999999999999921,0.0302396665048004,0.12757165389086006
133,0.6166666666666587,0.028764785209156422,0.09875162663963871
134,0.6333333333333253,0.02740940871559529,0.04595424837701159
135,0.6499999999999919,0.026161963071215155,0.06868725856446313
136,0.6666666666666585,0.025055460720915503,0.033624006514590146
137,0.6833333333333251,0.02399553502734928,0.10388950642747008
138,0.6999999999999916,0.02310851127639354,0.030981017827682047
139,0.7166666666666583,0.022205528543641218,0.07266624688472662
140,0.733333333333325,0.021575947349213472,0.11181618425781512
141,0.7499999999999916,0.020807671274259663,0.05541161570195061
142,0.7666666666666581,0.020262538639031612,0.08950539107569572
143,0.7833333333333247,0.019608943762035314,0.023378000215751638
144,0.7999999999999914,0.01900508918247521,0.11575968330990377
145,0.8166666666666581,0.01844758920101576,0.06288914585924078
146,0.8333333333333246,0.017933441506014527,0.025958714742173865
147,0.8499999999999912,0.017459988802825416,0.061836613074917474
148,0.8666666666666578,0.017116223909357433,0.08669454240171902
149,0.8833333333333245,0.01700109250482449,0.10765282431740325
150,0.899999999999991,0.016644697110745524,0.033282136165272536
151,0.9166666666666576,0.016321490303453878,0.08663344505231867
152,0.9333333333333241,0.016030153287369217,0.03933086234094735
153,0.9499999999999907,0.015769582084074696,0.06873146814288243
154,0.9666666666666575,0.01553887828303456,0.026067525652166298
155,0.983333333333324,0.015337342770190972,0.10149349763531684
156,0.9999999999999906,0.015164472389002764,0.04544611853949536
157,1.0166666666666573,0.015019959565844851,0.09398865195658686
158,1.033333333333324,0.014903695013669643,0.032942941505132536
159,1.0499999999999905,0.014815773718070222,0.016909937678527786
160,1.066666666666657,0.014756504512647603,0.03833415978914015
161,1.0833333333333235,0.01472642367105966,0.07038943793886053
162,1.0999999999999903,0.014726313087813518,0.07115226691186685
163,1.1166666666666567,0.014762833800814612,0.11306827133077327
164,1.1333333333333235,0.014828824980555134,0.04662696507791899
165,1.14999999999999,0.014936297382658363,0.026231560872918128
166,1.1666666666666567,0.015092709661536039,0.03491896913865691
167,1.1833333333333231,0.015265693132420408,0.11436028146419884
168,1.19999999999999,0.015480363766871183,0.03892269934030934
169,1.2166666666666563,0.01574034597789587,0.02915320223436095
170,1.2333333333333232,0.016049975876225163,0.04636767780072558
171,1.2499999999999896,0.016445001617509163,0.08707288930534204
172,1.2666666666666564,0.016871150941466195,0.0852459458774799
173,1.283333333333323,0.017365810966736703,0.10961009441709282
174,1.2999999999999896,0.01793794637067392,0.0365951371906682
175,1.3166666666666562,0.018598387284889623,0.024412837387149493
176,1.3333333333333228,0.019360276650060192,0.05541705235363853
177,1.3499999999999894,0.02027741539926165,0.049321115028945414
178,1.366666666666656,0.02139506330100348,0.08076752865412337
179,1.3833333333333226,0.02265340564781228,0.06723594652708242
180,1.3999999999999893,0.024215964657596928,0.06673711988042441
181,1.4166666666666559,0.02582307680845409,0.12478872326635204
182,1.4333333333333225,0.02770646393851211,0.060965602790654876
183,1.449999999999989,0.029925276941982052,0.03770325553334422
184,1.4666666666666557,0.03255400371914528,0.0698887458754342
185,1.4833333333333223,0.03568618792266998,0.12352285506264171
186,1.499999999999989,0.039438183003851726,0.0891652911931678
187,1.5166666666666555,0.04395161588318507,0.044848923579617665
188,1.533333333333322,0.049396347905066126,0.07997288513623901
189,1.5499999999999887,0.05593774572615727,0.14514166034193227
190,1.566666666666655,0.06372917556163323,0.15860749312341846
191,1.583333333333322,0.07281235769968086,0.14756888843535604
192,1.5999999999999883,0.08297912055122572,0.14632662580377548
193,1.6166666666666551,0.08968666903582638,0.1628523411311102
194,1.6333333333333215,0.09956504877300416,0.14713538295135836
195,1.6499999999999884,0.106985658129584,0.20622148484383954
196,1.6666666666666548,0.1105553529287392,0.1630654132822926
197,1.6833333333333216,0.10976166283155749,0.17589287777461948
198,1.699999999999988,0.10550302268599474,0.17521269502277753
199,1.7166666666666548,0.09954066028792553,0.15028352636441972
200,1.7333333333333214,0.09359971188053476,0.1843213781833252
201,1.749999999999988,0.08894698680154246,0.09841014382507488
202,1.7666666666666546,0.08611776697261757,0.09610253643878759
203,1.7833333333333212,0.08549802656897262,0.11788290136818833
204,1.7999999999999878,0.08714704444740207,0.12472961578779661
205,1.8166666666666544,0.09114323548348285,0.18007095347304625
206,1.8333333333333208,0.09741566916226682,0.1968062748513115
207,1.849999999999988,0.10570299682241792,0.16035958814590698
208,1.8666666666666545,0.11534606210318205,0.172274567609071
209,1.8833333333333209,0.12489566539676876,0.14044806277828398
210,1.8999999999999877,0.1324663709406456,0.1562904952289987
211,1.916666666666654,0.1361582465387924,0.18085568772226798
212,1.9333333333333207,0.13517303448186327,0.1505590037511287
213,1.9499999999999873,0.13039310047924793,0.14249147251965252
214,1.9666666666666537,0.12373011438496852,0.1941605795924947
215,1.9833333333333203,0.1172246633030924,0.14329761858493295
216,1.9999999999999871,0.11223132336840552,0.13831206974487778
217,2.0166666666666537,0.10964438113207683,0.13611277529075594
218,2.0333333333333203,0.10970848399307127,0.20400949606791344
219,2.049999999999987,0.11247749074012411,0.14231494223174615
220,2.066666666666653,0.11768922280751624,0.20175062459858167
221,2.08333333333332,0.12473707754788672,0.1881887731426838
222,2.0999999999999868,0.13233632676821225,0.1510163447133285
223,2.1166666666666534,0.1388812549798811,0.15368696710215354
224,2.13333333333332,0.1427420541018731,0.20593486954988302
225,2.1499999999999866,0.14319471281865284,0.2178817592243142
226,2.1666666666666528,0.14110364763997182,0.19073949371894608
227,2.18333333333332,0.13826829089995027,0.21316543180419148
228,2.1999999999999864,0.1363279334870925,0.2002379289667135
229,2.216666666666653,0.13652200547175272,0.17437301933725857
230,2.23333333333332,0.13932494130255624,0.18464291881130807
231,2.2499999999999862,0.14470822166638303,0.184363304689532
232,2.266666666666653,0.1521105848946017,0.16658405391777775
233,2.2833333333333194,0.16061207756974027,0.1750426369830076
234,2.299999999999986,0.16897722924770694,0.19308836593654144
235,2.3166666666666527,0.1759261828247377,0.17837906563374148
236,2.3333333333333193,0.18029139969025185,0.20142144462654596
237,2.3499999999999854,0.18149515421662843,0.20508934969418857
238,2.3666666666666525,0.1797830536574096,0.20834286269816094
239,2.383333333333319,0.1762170482718902,0.18837766203667497
240,2.3999999999999857,0.17226873288254063,0.24183572752354615
241,2.4166666666666523,0.1691475675474199,0.2522185226050003
242,2.433333333333319,0.1671686571423933,0.17205734074527076
243,2.449999999999985,0.16548924618092917,0.20721226255184488
244,2.466666666666652,0.16242034016088563,0.21279455158297994
245,2.4833333333333187,0.15633214078963112,0.24736846285340425
246,2.4999999999999853,0.14661349398571155,0.20852196502274695
247,2.516666666666652,0.13410546069691992,0.1806391973424074
248,2.5333333333333186,0.12044536220806938,0.20434972488407763
249,2.5499999999999847,0.10718928699229796,0.1075183763618777
250,2.566666666666652,0.09532586355221329,0.1401827543414672
251,2.5833333333333184,0.08529339317605522,0.11386166424719965
252,2.599999999999985,0.07709066119281836,0.11724446084028642
253,2.6166666666666516,0.07063904745880455,0.07117402788645898
254,2.633333333333318,0.06568665577483854,0.0974309131763187
255,2.649999999999985,0.062078991816957016,0.14200265323946532
256,2.6666666666666514,0.059617904082309055,0.09492562447501623
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518,7.033333333333303,0.0035069432009657746,0.05283304691948566
519,7.0499999999999705,0.003011562010941419,0.0464327252824427
520,7.066666666666636,0.0025693287122871486,0.021087520756170056
521,7.083333333333302,0.002180151797621449,0.005518639162491096
522,7.0999999999999694,0.0018631067214146704,0.03511065385599154
523,7.116666666666637,0.0016005279884154326,0.06263558203247062
524,7.1333333333333035,0.001383752803081267,0.024837384168368077
525,7.149999999999968,0.0012045262550681973,0.09911590878992671
526,7.166666666666636,0.0010557189196281143,0.019012342292723305
527,7.183333333333303,0.0009314598629566572,0.027824538713341913
528,7.199999999999969,0.0008270276372756256,0.041870985321227086
529,7.216666666666634,0.0007386662934833399,0.06728799294346474
530,7.233333333333302,0.000663398632862216,0.07616328639071791
531,7.249999999999972,0.0005988630824781945,0.09224236782975401
532,7.2666666666666355,0.0005431803012114177,0.045985709437151356
533,7.283333333333301,0.0004948475983603272,0.03880545173268148
534,7.299999999999968,0.00045265671581789455,0.039522778444956025
535,7.316666666666637,0.00041563027155241765,0.036557418349147525
536,7.333333333333303,0.0003829727316072356,0.008801725918456283
537,7.349999999999967,0.0003540325485166859,0.08684465089327713
538,7.366666666666635,0.0003282728337111797,0.030877967719610395
539,7.383333333333303,0.00030524854341540544,0.00456254467743439
540,7.399999999999968,0.0002845886426487827,0.08782395531127031
541,7.416666666666633,0.0002659820854651423,0.007910879386425715
542,7.433333333333301,0.00024916673278896844,0.07940114797356139
543,7.44999999999997,0.00023392054231395035,0.010778728770944471
544,7.466666666666634,0.0002200545248037094,0.09634394533190835
545,7.4833333333333,0.00020740708106580888,0.005982378568712616
546,7.499999999999968,0.00019583942400428853,0.0056958633095433074
547,7.5166666666666355,0.00018523185810550465,0.031061579059935174
548,7.533333333333301,0.0001754807401376867,0.08292270487080648
549,7.549999999999968,0.00016649598393723487,0.060577443984111794
550,7.566666666666634,0.00015819900201364986,0.05726689159531049
551,7.583333333333303,0.00015052099962416344,0.09626332562644373
552,7.599999999999967,0.00014340155465021373,0.08111515346418312
553,7.616666666666633,0.000136787430317109,0.04569290750956551
554,7.633333333333299,0.0001306315784814117,0.09106755646970781
555,7.649999999999968,0.00012489229957700896,0.019803021333298393
556,7.666666666666633,0.00010650950352080627,0.06579719703911381
557,7.683333333333299,0.00010176233346638824,0.08038186630171122
558,7.699999999999966,9.732407586281645e-05,0.09090506624221892
559,7.716666666666634,9.316862596969085e-05,0.04897089723751216
560,7.7333333333333,8.927256629278886e-05,0.022935319963214386
561,7.749999999999966,8.56148429229433e-05,0.04636224144789152
562,7.766666666666634,8.217648623838878e-05,0.007280443731825942
563,7.783333333333301,7.894036918914812e-05,0.008495599258638261
564,7.799999999999968,7.589099752037563e-05,0.05644568432413881
565,7.816666666666632,7.301432722262195e-05,0.04120697849113344
566,7.833333333333299,7.029760526128519e-05,0.030512176351782654
567,7.849999999999967,6.772923026716017e-05,0.0778464398803931
568,7.866666666666633,6.529863039051561e-05,0.0015680766565689575
569,7.883333333333299,6.299615595285945e-05,0.05332633581903208
570,7.899999999999967,6.0812984889811416e-05,0.08482273453171654
571,7.916666666666633,5.874103927838362e-05,0.0032446273762019107
572,7.933333333333299,5.677291149306076e-05,0.062116292943274226
573,7.949999999999965,5.490179874591324e-05,0.08442040506820496
574,7.966666666666634,5.312144494355774e-05,0.07516689349499696
575,7.9833333333333,5.1426088943718254e-05,0.027338756537680576
576,7.999999999999966,4.98104184211338e-05,0.016426973781625862
577,8.016666666666632,4.826952866034603e-05,0.05563780062926791
578,8.0333333333333,4.6798885684662046e-05,0.013486897435698596
579,8.049999999999969,4.53942932088713e-05,0.0069111592467258325
580,8.066666666666633,4.4051862970251115e-05,0.04549838779349733
581,8.083333333333298,4.2767988049800565e-05,0.012534499314918205
582,8.099999999999964,4.1539318844953935e-05,0.06481783181791115
583,8.116666666666633,4.036274139750162e-05,0.03999314798336396
584,8.133333333333299,3.9235357817086094e-05,0.06561250403964072
585,8.149999999999965,3.815446857233749e-05,0.09278489572488863
586,8.166666666666632,3.711755644916656e-05,0.07149030091853995
587,8.1833333333333,3.61222719995814e-05,0.0999902449823203
588,8.199999999999966,3.516642032512129e-05,0.07827493663038784
589,8.216666666666631,3.424794905708405e-05,0.020378032608375004
590,8.233333333333297,3.3364937411496084e-05,0.011812664901281102
591,8.249999999999966,3.2515586210577025e-05,0.07046309982581693
592,8.266666666666632,3.169820877454257e-05,0.09157882479314909
593,8.283333333333298,3.091122259820148e-05,0.04193416658757385
594,8.299999999999965,3.0153141736128785e-05,0.009790890411524585
595,8.316666666666633,2.9422569828415296e-05,0.0003137504328578474
596,8.333333333333298,2.871819370623216e-05,0.07076679873929936
597,8.349999999999964,2.8038777522851057e-05,0.0456701092227214
598,8.36666666666663,2.7383157361414957e-05,0.010454728339419204
599,8.383333333333299,2.6750236275772788e-05,0.0011284051960105607
600,8.399999999999965,2.6138979725131995e-05,0.0866336965739858
601,8.41666666666663,2.554841136723832e-05,0.07646460030576208
602,8.433333333333298,2.4977609178303214e-05,0.04744358893910104
603,8.449999999999966,2.442570187103044e-05,0.0831461690088301
604,8.466666666666631,2.3891865584884343e-05,0.07086347134430489
605,8.483333333333297,2.3375320825236138e-05,0.07801307162535605
606,8.499999999999964,2.287532963025233e-05,0.09658577087462375
607,8.516666666666632,2.2391192946387017e-05,0.08257142023998251
608,8.533333333333298,9.977292417469016e-06,0.08746372845026505
609,8.549999999999963,9.766995564215325e-06,0.09089118609650658
610,8.566666666666633,9.563269467577353e-06,0.023187631388885382

For this reason, the input file has to be modified so that the pandas csv reader can understand the data structure right and transform it into a dataframe. In contrast to the previous example Multi Peak Fitting, the following changes between previous

JSON
{
  "settings": {
    "column": [0, 1],
    "decimal": ".",
    "energy_start": -1,
    "energy_stop": 2.4,
    "header": null,
    "infile": "data.txt",
    "outfile": "example_2",
    "oversampling": false,
    "separator": "\t",
    "shift": 0,
    "smooth": 0,
    "verbose": 1
  },

and actually

JSON
{
  "settings": {
    "column": ["Energy", "Noisy"],
    "decimal": ".",
    "energy_start": 0,
    "energy_stop": 8,
    "header": 0,
    "infile": "data.csv",
    "outfile": "example_4_results",
    "oversampling": true,
    "separator": ",",
    "shift": 0.2,
    "smooth": 4,
    "verbose": 2,

    "noplot": true
  },

have to be performed.

  1. Column: int (index of the column) → str (name of the column)
  2. header: null (no header at all) → 0 (header start at row-number 0)
  3. separator: \t (columns are separated by tab character) → , (columns are separated by comma character)
Bash
spectrafit _ -i example_3.json

_

Elastic-line of a pseudo 2p3d-RIXS spectra.