fixed raw data

data_ediagram.py

@@ -0,0 +1,79 @@
+#Plot: x-Achse: Al, y-Achse Fe, No ist egal, alle Epi_E_a mit einer Farbe und in Legende Bezeichnung „Epi_E_a“, usw.
+rawdata = [
+"""No. 	229	230	231	232		252	253	254	255	256		307	308	309	310	311
+Epi_E_a	Epi_E_a	Epi_E_a	Epi_E_a		Epi_E_b	Epi_E_b	Epi_E_b	Epi_E_b	Epi_E_b		Epi_E_c	Epi_E_c	Epi_E_c	Epi_E_c	Epi_E_c
+Al	2,93241133320791	2,9517948142983	2,92856594815371	2,90506582679333		2,89658762937309	2,90681620895172	2,95236414704128	2,91374571497044	2,45747553229356		2,53688512906265	2,90221591085952	2,91448506221199	2,91382940302767	2,94304507974937
+Fe+3	0,0738059065117476	0,050928262764455	0,0682348033150973	0,0824736762809354		0,122109173460867	0,0797197538583904	0,0531746087169284	0,0750998173148713	0,569435047767714		0,465346519422234	0,0937334717419173	0,0549985486816274	0,0734492480313419	0,0636042926797437""",
+"""No. 	183	184		252	253		345	346	347		348	349	350
+Epi_E_d	Epi_E_d		Epi_E_e	Epi_E_e		Epi_E_f	Epi_E_f	Epi_E_f		Epi_E_g	Epi_E_g	Epi_E_g
+Al	2,3211321203245	2,56569075271161		2,34866353535515	2,33764178096418		2,38549902272546	2,44101343171515	2,43252321725985		2,64273909318701	2,54516053548287	2,64522713463196
+Fe+3	0,564715399175452	0,302176553751045		0,56188080692161	0,565253779889425		0,55168541071089	0,474199676877068	0,458548694452138		0,269641308975537	0,364153221729885	0,26248715223474""",
+"""No. 	351	352	353	354		32	33	34		128	129	130
+Epi_E_h	Epi_E_h	Epi_E_h	Epi_E_h		Epi_E_i	Epi_E_i	Epi_E_i		Epi_E_j	Epi_E_j	Epi_E_j
+Al	2,33807425110074	2,34053672866791	2,38290443369389	2,3672668438269		2,87614939294447	2,84733707207427	2,83402682658253		2,73479742201638	2,72162727777866	2,71989247957813
+Fe+3	0,614561836666928	0,591836889041518	0,562676984045455	0,581807648005309		0,0671844427520575	0,0871417513551472	0,11640502802312		0,216917151917929	0,220934373075201	0,218288833455775""",
+"""No. 	15	16	17	18	19	20		44	45	46	47	48	49	50	51	52		83	84	85	86	87	88	89
+Epi_E_k	Epi_E_k	Epi_E_k	Epi_E_k	Epi_E_k	Epi_E_k		Epi_E_l	Epi_E_l	Epi_E_l	Epi_E_l	Epi_E_l	Epi_E_l	Epi_E_l	Epi_E_l	Epi_E_l		Epi_E_m	Epi_E_m	Epi_E_m	Epi_E_m	Epi_E_m	Epi_E_m	Epi_E_m
+Al	2,23803832994323	2,27088377084141	2,30398440933804	2,3311892274406	2,41249562087074	2,40817997869596		2,25084040252057	2,08840485293262	2,35186690290207	2,34693924105135	2,39932891124769	2,06920110479273	2,19571704213787	2,23866580333112	2,31641461316187		2,32700583406629	2,35627094588088	2,29984779024087	1,39734497654841	2,14368050236642	2,2405064522685	2,30092014650739
+Fe+3	0,713835952962848	0,69659158131678	0,607578677279297	0,657799395214154	0,552765811321079	0,532802296316212		0,727675372811064	0,83843175252463	0,596309911427646	0,605680843189107	0,56019383930035	0,871047065977394	0,76873557636038	0,73142117046558	0,647890420291867		0,644249033314204	0,590722956716691	0,654917989765932	0,55475099974521	0,755121474256949	0,725174206943835	0,65559842830768""",
+"""No. 	48	49	50	51	52		103	104	105	106	107	108		138	139	140	141
+Epi_Fro_a	Epi_Fro_a	Epi_Fro_a	Epi_Fro_a	Epi_Fro_a		Epi_Fro_b	Epi_Fro_b	Epi_Fro_b	Epi_Fro_b	Epi_Fro_b	Epi_Fro_b		Epi_Fro_c	Epi_Fro_c	Epi_Fro_c	Epi_Fro_c
+Al	2,85237208018488	2,89132121196934	2,86829953964949	2,87842750294436	2,93240670570976		2,61849677550985	2,29589538762623	2,61410137305755	2,64258213720569	2,66420042890076	2,57165845075151		2,58213993141373	2,5632717146903	2,54963051498439	2,53852108918408
+Fe+3	0,137421199716151	0,139878060209798	0,130249537222605	0,136637539671679	0,0780938825470317		0,388867303201215	0,723374720501857	0,406260512165727	0,346957727732163	0,351218924994998	0,433205152860762		0,35102622856358	0,361107038158408	0,425307482024452	0,411475851430893""",
+"""No. 	160	161	162		172	173	174	175		25	26	27	28
+Epi_Fro_d	Epi_Fro_d	Epi_Fro_d		Epi_Fro_e	Epi_Fro_e	Epi_Fro_e	Epi_Fro_e		Epi_Fro_f	Epi_Fro_f	Epi_Fro_f	Epi_Fro_f
+Al	2,343252099666	2,3212170818885	2,29813888481623		2,20525786733392	2,22750445940276	2,30964404064813	2,35481641911625		2,23581396029492	2,21624345660384	2,20332021741968	2,21957329382193
+Fe+3	0,645547366575881	0,63865710405176	0,69621676240418		0,78275014460138	0,716790297122701	0,668285316238327	0,531628980198307		0,756610936041688	0,78171442700135	0,797458706873903	0,766006232199339""",
+"""No. 	50	51	52		60	61	62		69	70		100	101	102	103	104
+Epi_Fro_g	Epi_Fro_g	Epi_Fro_g		Epi_Fro_h	Epi_Fro_h	Epi_Fro_h		Epi_Fro_i	Epi_Fro_i		Epi_Fro_j	Epi_Fro_j	Epi_Fro_j	Epi_Fro_j	Epi_Fro_j
+Al	2,45854294394831	2,36625997205822	2,34045238400722		2,40315075368061	2,40015262377715	2,32844282722795		2,34272515058542	2,33136923906842		1,85276573810898	1,85505603170204	1,82074245087717	1,84112034723124	1,85338889504735
+Fe+3	0,508607123881933	0,590462611164006	0,621787882493695		0,57510237357414	0,590153092518535	0,64008998886145		0,618313506311464	0,659811805656024		1,7189960853372	1,79621051158201	1,85729798340094	1,77078579293587	1,80537514557715""",
+"""No. 	270	271	272		183	184	185	187	188	189	190		213	214	215
+Epi_Fro_k	Epi_Fro_k	Epi_Fro_k		Epi_Fro_l	Epi_Fro_l	Epi_Fro_l	Epi_Fro_l	Epi_Fro_l	Epi_Fro_l	Epi_Fro_l		Epi_Fro_m	Epi_Fro_m	Epi_Fro_m
+Al	2,58877018381275	2,57262792875167	2,57168780190379		1,8279966568131	2,56886214966037	2,20602572477669	2,55807207503061	2,59848688834496	2,5635149982321	2,52355457745325		2,57879618531635	2,57645141656476	2,43950508005609
+Fe+3	0,371532296693202	0,359530131730853	0,389397233611845		0,380127701063786	0,338599718782561	0,301792824875321	0,329298263548948	0,31493746727952	0,342439458454303	0,403709321421708		0,329267750784328	0,325891659607313	0,464467745133605""",
+"""No. 	335	336	337	338	339	340		349	350	351	352	353		392	393	394
+Epi_Fro_n	Epi_Fro_n	Epi_Fro_n	Epi_Fro_n	Epi_Fro_n	Epi_Fro_n		Epi_Fro_o	Epi_Fro_o	Epi_Fro_o	Epi_Fro_o	Epi_Fro_o		Epi_Fro_p	Epi_Fro_p	Epi_Fro_p
+Al	2,39650025345515	2,36509789693306	2,38306665321643	2,60547841331133	2,55062503821418	2,52945450163079		2,66152306385287	2,53638900826945	2,51926778023304	2,50013163798528	2,53230398187015		2,32165149739709	1,92233432749447	2,2152145750714
+Fe+3	0,646967319885096	0,67060058038901	0,634332433880778	0,390127660594466	0,463092946287179	0,480783780771496		0,334265143380398	0,461349914203222	0,48761584438644	0,513827382934719	0,455238697880172		0,684486585941876	1,75024231652052	0,797480509686296""",
+"""No. 	32	33		34		35	36		448	449
+Epi_Fro_q	Epi_Fro_q		Epi_Fro_r		Epi_Fro_s	Epi_Fro_s		Epi_Fro_t	Epi_Fro_t
+Al	2,40096985266195	2,38332802260323		2,48845056404113		2,43803592497744	2,46300504056357		2,15455100535075	2,10626857303588
+Fe+3	0,495295307043025	0,519912385715743		0,406063905437858		0,472986774143588	0,477241309361155		0,733398904124484	0,759605355841605""",
+"""No. 	132	133	134	135	136	137	138		160	161	162	163	164		282	283	284	285	286	287	288
+Epi_Fro_u	Epi_Fro_u	Epi_Fro_u	Epi_Fro_u	Epi_Fro_u	Epi_Fro_u	Epi_Fro_u		Epi_Fro_v	Epi_Fro_v	Epi_Fro_v	Epi_Fro_v	Epi_Fro_v		Epi_Fro_w	Epi_Fro_w	Epi_Fro_w	Epi_Fro_w	Epi_Fro_w	Epi_Fro_w	Epi_Fro_w
+Al	2,17255446555271	2,19235872841047	2,24127676285561	2,2167891391999	2,19180339584333	2,29106385728859	2,17181283336184		2,21504421704291	2,09835789648747	2,18837554001955	2,20326223208813	2,22259517525392		2,42508019806652	2,14278466705158	2,18552778507985	2,14905241085173	2,24962659797287	2,14246062897699	2,3327936136744
+Fe+3	0,767790522060898	0,776217818372491	0,720004218600254	0,749194339131505	0,784076288263845	0,643696100251768	0,783071315587265		0,749621323983758	0,779060340037785	0,796665025674518	0,759581052653747	0,737902162502921		0,490435828297395	0,782670381360682	0,735981521421355	0,793861274981069	0,718467284424362	0,802399166994268	0,611098256201509""",
+"""No. 	227	228	229		230	231	232	233		286	287	288	289
+Epi_Rane_a	Epi_Rane_a	Epi_Rane_a		Epi_Rane_b	Epi_Rane_b	Epi_Rane_b	Epi_Rane_b		Epi_Rane_c	Epi_Rane_c	Epi_Rane_c	Epi_Rane_c
+Al	2,49409450823092	2,81436754418619	2,81584171055651		2,81508792984036	2,81071936705869	2,80373646222146	1,06886410904301		2,78525748653209	2,81675723209331	2,82678615187416	2,81633661275731
+Fe+3	0,442776264359581	0,10601338850713	0,117435099127739		0,11783903840454	0,107488645447369	0,120538230849844	0,39336721721071		0,131381896142243	0,119278558392504	0,108524669815512	0,104405344764322""",
+"""No. 	220	221	222	223	224	225	226		250	251	252	253	254		368	369		370	371
+Epi_Rane_d	Epi_Rane_d	Epi_Rane_d	Epi_Rane_d	Epi_Rane_d	Epi_Rane_d	Epi_Rane_d		Epi_Rane_e	Epi_Rane_e	Epi_Rane_e	Epi_Rane_e	Epi_Rane_e		Epi_Rane_f	Epi_Rane_f		Epi_Rane_g	Epi_Rane_g
+Al	2,2981177560916	2,00914682630984	2,1550799590996	1,99301218260343	2,17929573010852	2,35592811946789	2,24762104986111		2,41434799978562	2,55562651498457	2,506878442723	2,48798427611867	1,33046725096498		2,27713956558791	2,26525903643226		2,27786295057994	2,28677527488395
+Fe+3	0,650852093071001	0,928212948153806	0,795960089904116	0,934015014000395	0,74303726896531	0,609716266934655	0,710584362233489		0,447730655790762	0,387000066717139	0,463987910145945	0,458733209558447	0,344625303142351		0,638932639038263	0,659565313478828		0,649523999630508	0,625302755954743
+"""]
+
+def _convert(d):
+    dat = []
+    d = d.replace("Al\t", "").replace("Fe+3\t", "")
+    ds = list(map(lambda x: x.split(), d.split("\t\t")))
+    for s in ds:
+        dat.append(list(map(float, list(map(lambda x: x.replace(",","."), s)))))
+    return dat
+
+def get_data():
+    data = []
+    for dataset in rawdata:
+        lines = dataset.split("\n")
+        #probe_label = lines[0].split("\t")[0]
+        data.append({"index": lines[0].split()[1:],
+                     "labels": lines[1].split(),
+                     "al": _convert(lines[2]),
+                     "fe": _convert(lines[3])})
+    return data
+
+data = get_data()
+
+if __name__ == "__main__":
+    print(data)

data_ptdiagram.py

@@ -0,0 +1,63 @@
+import numpy as np
+rawdata = """E11-1		core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	core	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim
+	p	9,5	8	8	9,5	9,5	10	8,5	8	9,2	9	9,2	7,8	7	9,4	9,4	9,7	8	8,7	9,2	9,2	10	9,7	8,8	8	9,3	8,8	9	7,6	7,4	9,2	9,2	8,4	9,2	9,2	10	8,6	8	9,2	8,6	9	9,2	9,6	9,6	8,6	9,5	9,5	10	8,8	8	9,6	8,8	9,2	9,6	9,6	9,6	8,6	9,5	9,5	10	8,8	8	9,6	8,8	9,2	9,6	9,4	9,7	8,4	9,4	9,4	9,8	8,6	9,4	8,6	9,1	9,4	14,5	19	15,0	19,5	17,0	18,0	20,0	15,5	14,0	15	19,5	15	20	17,5	19	20	16	14,5	15,5	20	15,5	20,5	18,5	20	17	15	24
+	T	374,2	293,7	326,5	367,6	369,3	394,7	334,7	301,6	368,6	337,3	353,3	285,4	264,5	372,5	378,6	380,9	297,7	332,8	371,2	372,9	399,5	282,5	339,9	305,6	373,5	341,0	357,2	288,8	269,3	369	370	324	362	364	390	331	298	364	332	349	368	378	380	331	371	372	399	338	303	373	339	356	377	378	380	331	371	372	399	338	303	373	339	356	377	369	371	323	362	364	389	330	364	331	348	368	700	852	631	886	742	880	961	673	606	718	874	646	909	761	905	982	690	623	755	921	678	958	803	957	727	654	1170
+
+E11-2b2		core	core	core	core	transition	transition	transition	transition	rim	rim	rim	rim	rim	rim	rim	rim
+	p	10,9	9,2	10,5	7,5	10,7	9,2	10,2	7,4	16,8	10	12	13,5	16,8	9,6	12	13,4
+	T	443	361	420	287	435	354	411	281	750	394	512	583	762	391	515	588
+
+E11-2b3		core	core	core	core	core	core	core	core	transition	transition	transition	transition	transition	transition	rim	rim	rim	rim	rim	rim	rim	rim
+	p	13,5	15,6	13,5	12,5	13	15,2	13,2	12,5	14,8	15,1	12,1	15,6	15,9	12,5	15,2	17,1	14,6	16,5	15,5	17,4	15	16,9
+	T	579,307690489454	691,580192070313	586,792447493203	542,311848722592	563,038706095721	673,487268563628	571,244675445446	528,779385288307	651,808675290907	675,132343795834	504,715224513113	696,632605445166	722,003330839937	534,956500901985	680,394999155916	789,416497900048	642,265855469304	742,712680121769	699,380201422214	810,167230070622	660,930160035844	763,23758422422
+
+E11-2c2		core	core	transition	transition	transition	transition	rim	rim	rim	rim
+	p	6,1	6,1	10,3	9,3	9	8,4	14,9	12,1	13,2	10,8
+	T	276	278	404,914118545545	366,830331111749	347,467589680629	316,350829656469	657,125231122506	494,956854076839	575,186688198204	438,589717810896
+
+Fro1a		core	core	core	core	transition	transition	transition	transition	transition	transition	rim	rim	rim	rim	rim	rim
+	p	8,3	6,6	10,4	8,9	10,2	10	9,1	10,8	10,5	9,2	11,7	11,7	10,4	11,1	10,8	9,7
+	T	311,234420431724	262,823220089942	412,206373153549	342,352025469124	406,781817449735	404,501245271818	356,711257079056	436,068755313578	433,242960713223	381,033114042144	499,106911973762	470,638656937731	410,834790904437	467,696232384829	440,448586673909	385,512756032861
+
+Fro5-2		core	core	core	core	core	core	transition	transition	transition	transition	transition	transition	rim	rim	rim	rim	rim	rim
+	p	6,7	9,4	7,2	10,8	7,8	10,8	8,5	9,3	8,2	8,9	9	9,6	9,2	6,9	9,1	6,8	9,8	7,3
+	T	264	383	293	440	299	448	334	368	314	343	353	388	362	271	356	268	384	288
+
+Fro12-11		core	core	core	core	transition	transition	transition	transition	rim	rim	rim	rim	rim	rim	rim	rim	rim
+	p	10,5	10,9	10,2	10,5	9,2	8,7	9	8,3	19,3	12,8	18,6	19,3	12,7	18,6	14,1	9,9	13,4
+	T	420	435	406	420	368	336	349	319	850	535	816	851	536	817	588,326560252509	391,06600545418	566,239270864729
+
+Fro12-13a		transition	transition	transition	transition	transition	transition	transition	transition	transition	transition	transition	transition	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim
+	p	13,4	11	13	11	12,1	10,2	12,3	10,6	15,1	12,9	14	12,1	20,6	20,1	20,2	20,5	19,2	19,3	20	20,2	22,7	22,3	20,2	20,2
+	T	626	465	605	453	548	412	578,237596822832	433,840418546991	755,769155278269	552,865035728822	674,92829420201	503,68112340178	805	827	816	844	783	807	813,208089931722	839,845159804565	917,653430329754	947,090941121732	795,115404629457	819,421221878283
+
+Rane10-3		core	core	core	core	core	core	core	core	core	core	core	core	transition	transition	transition	transition	transition	transition	transition	transition	transition	transition	transition	transition	transition	transition	transition	transition	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim
+	p	10,2	9,3	9,5	6,8	10,4	9,7	9,9	7,2	10,3	9,6	9,7	6,8	10,6	10,5	10,7	9	10,7	10,7	11	9,2	10,2	9,9	10,2	8,8	11,5	11,6	11,4	9,9	12,2	14,9	15	12,8	12,7	15,4	15,3	12,9	12,3	15,1	15,4	13	12,2	15	15,3	12,8
+	T	404	369	381	264	421	387	398	278,901678670781	409,494301482043	375,533427916256	386,298013929303	269,422101590477	427	422	436	349	443	438	453	361,251084048528	402,742560356777	397,290404754501	409,887933680074	332,155441944561	483,254544257058	477,558572644372	492,214317009013	392,575336069011	516	645	620	541	531	666	639	555,699311677766	523,893893210169	655,908617463107	631,551872262378	549,721533665992	519,994628770231	652,207885553591	627,755793167068	545,452999968155
+
+Rane10-10		core	core	core	core	transition	transition	transition	transition	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim	rim
+	p	6,5	6,6	6,9	6,9	11,4	12,6	12,8	14	16,3	17,9	15,8	15,9	17,3	19,1	16,8	16,8	17,3	19,1	16,8	16,8
+	T	453	461	505	507	452	495	501	575	618	667	595	598	657	710	632	634,717258249757	656,108445904902	710,362518667749	631,32528493392	634,142181436897"""
+
+def parse_data():
+    data = {}
+    for i, dataset in enumerate(rawdata.split("\n\n")):
+        lines = dataset.split("\n")
+        label = lines[0].split("\t")[0]
+        region = lines[0].split("\t")[2:]
+        p = np.array(list(map(float, lines[1].replace(",", ".").split("\t")[2:])))
+        t = np.array(list(map(float, lines[2].replace(",", ".").split("\t")[2:])))
+        cmask = np.array(region) == "core"
+        tmask = np.array(region) == "transition"
+        rmask = np.array(region) == "rim"
+
+        data[label] = {"raw": {"p": p, "t": t, "region": region},
+                       "core": {"p": p[cmask], "t": t[cmask]},
+                       "transition": {"p": p[tmask], "t": t[tmask]},
+                       "rim": {"p": p[rmask], "t": t[rmask]}
+                       }
+        #print(label, "\n", data[label])
+    return data
+
+data = parse_data()
+

data_udiagram.py

@@ -32,7 +32,20 @@ Al (vi)		1.474	1.592	1.478	1.330	1.559	1.340	0.646	0.678	0.578	0.570	0.571	0.681
 No. 		269	270	271	272	273	274	275		276	277	278	279	280	281	282	283	284	285		286	287	288	289	290	291	292	293	294	295	296		301	302	303	304	305	306		326	327	328	329	330	331	332	333	334	335		336	337	338		389	390	391	392	394		395	396	397	398	399	400	401	402	403	404	405
 Al (iv)		0.115	0.282	0.292	0.508	0.453	0.524	0.832		0.142	0.179	0.200	0.203	0.206	0.239	0.934	0.848	0.846	0.730		0.092	0.085	0.077	0.123	0.278	0.279	0.216	0.352	0.399	1.081	1.028		0.105	0.236	0.245	1.404	1.315	1.717		0.157	0.179	0.189	0.199	0.223	0.253	0.536	0.780	0.392	0.736		0.120	0.165	0.143		0.179	0.139	0.146	0.189	0.214		0.223	0.337	0.382	0.292	0.335	0.477	1.151	1.186	1.390	1.627	1.502
 Al (vi)		1.463	1.290	1.258	1.104	1.116	1.077	0.862		1.472	1.435	1.397	1.371	1.364	0.867	0.370	0.347	0.316	0.068		1.521	1.534	1.519	1.466	1.299	1.329	1.394	1.259	1.185	0.318	0.315		1.491	1.321	1.300	0.652	0.711	0.725		1.445	1.441	1.428	1.413	1.423	1.355	1.104	0.882	1.164	0.972		1.444	1.394	1.399		1.422	1.485	1.480	1.434	1.451		1.387	1.305	1.270	1.248	1.244	1.104	0.565	0.500	0.595	0.558	0.681
-"""]
+""",    # second data set starts below
+"""Fro11-6c_(gln)		amph_Fro_ca													amph_Fro_cb								amph_Fro_cc											amph_Fro_cd
+No.		33	34	35	36	37	38	40	41	42	43	44			53	54	55	56	57	58	59		74	75	76	77	78	79	80	81	82	83		89	90	91	92	93	94	95	96	97	98
+Al (iv)		0.946816804407802	0.915374936513542	0.937271642498776	0.847760968902469	0.747719228173619	0.714829698146967	1.86571227579049	1.71838080893279	1.71103734452366	1.70879657970424	1.64092677390816			0.461022184356462	0.693023395327311	0.982951765167888	1.52795621943651	1.53036132489667	1.49209394814901	1.62995787481642		0.698900346977771	0.816799574124805	0.764948598355243	0.869872587451249	1.5530690903298	1.79468904739747	1.84420792449185	1.99843039623898	1.56667648786992	1.57383359070777		0.630928262769171	0.561577760147696	0.548056344005859	0.786375842376335	1.00513689464044	1.87745464654207	1.93338975656706	0.615313278112884	0.50168136117628	1.61995337675513
+Al (vi)		0.838942186807262	0.815361670511523	0.808137144270259	0.862078768661791	0.939090197132293	0.963779498333328	0.560748890921683	0.484482276634198	0.473542874470649	0.609182415010286	0.599143153793783			1.12725569400285	0.966366578088712	0.806510848833191	3.51621774600843	3.56674385825125	3.57782677128492	3.36773309452869		0.942984820030193	0.887441228699995	0.944724260781667	0.901423930916418	0.386579399482084	0.481158896581861	0.53578885415416	0.76897845900415	0.400356157934341	0.510848459618583		0.998093322898503	1.03315559508081	1.02774242501428	0.951305106175528	0.819026996150823	0.798236792336004	1.54853682884571	0.988494165008363	1.06735883175549	0.576081223535151""",
+"""Fro12-2_(gln)		amph_Fro_ce													amph_Fro_cf													amph_Fro_cg										amph_Fro_ch												amph_Fro_ci										amph_Fro_cj																						amph_Fro_ck
+No.		191	192	193	194	195	196	197	198	199	200	201	202		222	223	224	225	226	227	228	229	230	231	232	233		245	246	247	248	249	250	251	252	253		259	260	261	262	263	264	265	266	267	268	269		273	274	275	276	277	278	279	280	281		282	283	284	285	286	287	288	289	290	291	292	293	294	295	296	297	298	299	300	301	302		303	304	305	306	307	308	309	310	311	312	313	314	315
+Al (iv)		0.328188388002119	0.361256275224842	0.362429861161353	0.342701124396405	0.375689071786472	0.410922546562091	0.433489035412379	0.215393190830418	0.352438484877891	0.860029563686514	0.981522439883262	1.08818373565835		0.384753748828151	0.388117260733489	0.347654152270255	0.529919556378776	0.583522801938067	0.377562975184153	0.417591727752516	0.877417733596414	1.1786437776632	1.22285207322467	0.951286956138196	0.974460816925085		0.887289832741685	0.360677366131962	0.428434921439195	0.412327022806907	0.502578452044203	1.01026038416063	1.08387614318567	1.16025742016281	0.854098229490802		0.375855418045937	0.289692422406622	0.436627446505401	0.54555536543532	0.402297240781901	0.827694244724913	0.883768905233	1.01023249853057	1.16494077314581	1.05218100302439	1.07271367271352		0.770950749006239	0.27531264327789	0.374033825154145	0.338852609962906	0.36706682043426	0.817341101615991	0.762079236826144	1.25500977497809	1.08211101979398		1.11167158638088	1.0643412222582	1.08026436357389	1.03519777229883	0.947204233180861	0.386067094610256	0.357594948027232	0.29320791126707	0.338630493331255	0.370393547817729	0.347849859930496	0.32545386771765	0.337512298104357	0.414621915838326	0.625592554904839	0.887937451012005	0.947577578612908	1.02858068580916	1.02952059000579	1.15762177585972	1.07719594023792		0.392634480405641	0.405076921869238	0.331509741636521	0.382734742735397	0.369638226563933	0.761249808607752	0.872380301765923	0.95152692000307	0.922540441086865	0.986008478205388	0.98738227238653	1.9257930295669	1.48390529065649
+Al (vi)		1.37017335890543	1.36844364037036	1.32288688936552	1.37029541618546	1.37024211844302	1.35087782045706	1.29461573002652	1.50861073865596	1.3267869122613	0.612766609051898	0.693097818545363	0.670250981028784		1.3113133967853	1.34586514772034	1.35120737985726	1.17787883422592	1.12431189432453	1.36570772342889	1.33366175301796	0.549125324096053	0.63185534306506	0.629769910820257	0.514554244651119	0.640588186644977		0.929064970765926	1.36945947220338	1.28702756326837	1.31522311951817	1.23519616350027	0.598196994561467	0.596610834619597	0.573975596813212	0.2257536612153		1.37957308340145	1.42031965165414	1.08294441110912	1.11684264289059	1.34256283430956	0.893482190348614	0.505383059504192	0.660494005191579	0.580331722771146	0.656397074917925	0.634530014440569		0.618954716080268	1.50568132348632	1.34859276445898	1.41407627333516	1.35881473682596	0.635224674181522	0.543399719473396	0.859870249699252	0.630056681042227		0.707551804332569	0.752200148416642	0.711696461129994	0.68907797385245	0.725583405687959	1.32471185901789	1.361178184943	1.46613949231631	1.36801377871056	1.35482566723579	1.40188108196994	1.41669289870394	1.41701792117051	1.3173557632398	1.05825229558851	0.604084399396854	0.572378684337928	0.638198011270666	0.623548230339987	0.707997620150112	0.602927533124502		1.2937876942767	1.29620291613596	1.43353543228735	1.35113875560262	1.32831854491189	0.694020039147137	0.659831222815137	0.5729544062121	0.687856225738848	0.691489332662949	0.70608557115278	2.48251955219877	4.02806549864933""",
+"""Fro12-13a_(gln)		amph_Fro_cl										amph_Fro_cm								amph_Fro_cn								amph_Fro_co								amph_Fro_cp						amph_Fro_cq							amph_Fro_cr									amph_Fro_cs								amph_Fro_ct							amph_Fro_cu												amph_Fro_cv
+No.		48	49	50	51	52	53	54	55	56		57	58	59	60	61	62	63		64	65	66	67	68	69	70		71	72	73	74	75	76	77		78	79	80	81	82		83	84	85	86	87	88		109	110	111	112	113	114	115	116		137	138	139	140	141	142	143		409	410	411	412	413	414		415	416	417	418	419	420	421	422	423	424	425		450	451	452	453	454	455	456	457	458	459
+Al (iv)		0	0.314353485701544	0.325291246418307	0.381403755363658	0.374302906412133	0.489528008310402	0.402225876198907	1.75871040410334	1.84146892417324		1.45935094146606	1.27284089871442	1.05421242353845	0.850022770011366	0.839986208459827	0.32211912468823	0.285872871643965		0.261919641645515	0.284384131951545	0.349818354093864	0.313322857319986	0.425344884166535	0.505290552823106	0.903938357238606		0.311516192198159	0.40284833961657	0.381826799315414	0.341443209938549	1.0312673119157	1.05362107396374	1.11817520899743		0.269991406049937	0.310167696154493	0.348350989371074	0.331714596146752	0.36820771230222		0.31276106321326	0.424055902995629	0.408894424685645	0.646334308987496	0.903507639568968	1.01920305688623		0.261897957134529	0.245147508828516	0.367981013369273	1.06140937955948	1.56469269258899	1.11004722485604	2.15682423580188	2.05816222486019		0.215868941603327	0.201187312466408	0.345088393266079	0.311130260948995	0.349404027913159	0.328721574850613	0.620205621992563		0.353629416457129	0.398192685066014	0.318986023530274	0.433273205055643	0.276962637949195	0.447159671998953		0.403137001587158	0.318877624551829	0.257356458438419	0.370597054569883	0.403461649478006	0.359611754760731	1.32449774843963	1.25870193800869	1.29793985417384	1.19587675638665	1.19627997028856		1.40232459545016	1.60790438309744	1.54007466576874	0.505282011535206	1.10047535393283	1.08032365713327	0.59829553968101	0.246349955322835	0.327210473418903	0.303732680014742
+Al (vi)		    1.74791037980584	1.34349648179927	1.34436593711445	1.28937857759042	1.27271508985709	1.2033095164389	1.22829701384197	0.803611053526665	0.602741049046181		0.895348347630978	1.0239106639883	1.02334251717134	1.03350201423128	0.976808916850934	1.32239104480213	1.42669502418355		1.41394709734442	1.39706921721595	1.35371764042877	1.30996665202343	1.22308886742955	1.1525484796713	0.881750123558456		1.32145376636871	1.24472981086873	1.26601793376856	1.33443728114338	0.976993949443575	0.82897264994853	0.837403150612387		1.41298027039234	1.45266468208903	1.39307155029634	1.37198822682148	1.2830570595143		1.37706097406316	1.2454933797397	1.27042358958718	1.10385060851776	0.915678660168757	0.903723174448463		1.48696583008407	1.37504764516274	1.2956723675947	0.762055964856206	0.603198270035297	0.470375922080046	0.496910816778194	1.54410092366639		1.47126018385118	1.44799487512134	1.31896152413539	1.36336161435732	1.39280911709791	1.31292300266436	1.14669041153757		1.36820806821928	1.27897483345219	1.32011814900904	1.22265769666829	1.3784136968127	1.20726257533416		1.31339720508611	1.3646558937751	1.4350383479321	1.24281673273374	1.2340357656236	1.29801329059426	0.144475455643813	0.253179259915687	0.265909524205712	0.282541006058353	0.291017591003584		0.810272603510621	0.622012381914396	0.420188235749915	1.19961584594336	0.855091117230516	0.9216006831554	1.00800053725834	1.45175578408793	1.36103426245815	1.38259411407457"""
+]
 
 def _convert(d):
     dat = []
@@ -53,3 +66,10 @@ def get_data():
     return data
 
 data = get_data()
+
+if __name__ == "__main__":
+    for entry in data:
+        print(entry)
+        for k in ['zones', 'index', 'al4', 'al6']:
+            print(k, len(data[entry][k]))
+

plots_für_johann.py

@@ -3,6 +3,8 @@ import matplotlib.pyplot as pp
 import numpy as np
 import data_ternary
 import data_udiagram
+import data_ediagram
+import data_ptdiagram
 
 def plotTdiagram():
     scale = 100
@@ -23,45 +25,17 @@ def plotTdiagram():
         # Set Axis labels and Title
         fontsize = 12
         offset = 0.14
-        #tax.set_title(group+"\n", fontsize=fontsize)
         tax.right_corner_label("Sps", fontsize=fontsize)
         tax.top_corner_label("Grs", fontsize=fontsize)
         tax.left_corner_label("Prp", fontsize=fontsize)
-        #tax.left_axis_label("Left label $\\alpha^2$", fontsize=fontsize, offset=offset)
-        #tax.right_axis_label("Right label $\\beta^2$", fontsize=fontsize, offset=offset)
-        #tax.bottom_axis_label("Bottom label $\\Gamma - \\Omega$", fontsize=fontsize, offset=offset)
-
-        # Draw lines parallel to the axes
-        #tax.horizontal_line(16)
-        #tax.left_parallel_line(10, linewidth=2., color='red', linestyle="--")
-        #tax.right_parallel_line(20, linewidth=3., color='blue')
-
-        # Draw an arbitrary line, ternary will project the points for you
-        #p1 = (22, 8, 10)
-        #p2 = (2, 22, 16)
-        #tax.line(p1, p2, linewidth=3., marker='s', color='green', linestyle=":")
 
         for item in group:
             points = list(zip(*(data_ternary.data[item]['Sps'],
                                 data_ternary.data[item]['Grs'],
                                 data_ternary.data[item]['Prp'],
                                 )))
-            #print(points)
             tax.scatter(points, label=item)
 
-            #p1 = (data_ternary.data[item][val][0] for val in ['Prp', 'Sps', 'Grs'])
-            p1 = points[0]
-            #p2 = (data_ternary.data[item][val][-1] for val in ['Prp', 'Sps', 'Grs'])
-            p2 = points[-1]
-            print(p1, p2)
-            #tax.line(p1, p2, linewidth=3., marker='s', color='green', linestyle="-")
-#            line.axes.annotate('',
-#                               xytext=(xdata[start_ind], ydata[start_ind]),
-#                               xy=(xdata[end_ind], ydata[end_ind]),
-#                               arrowprops=dict(arrowstyle="->", color=color),
-#                               size=size
-#                               )
-
         tax.legend(frameon=False)
 
         # edit this for ax ticks
@@ -70,49 +44,18 @@ def plotTdiagram():
         # leave this alone
         tax.get_axes().axis('off')
         tax.clear_matplotlib_ticks()
-        pp.savefig(f"ternary_{group}.png")
+        pp.savefig(f"ternary_{'_'.join(group)}.png")
-    tax.show()
+    #tax.show()
 
 def plotUdiagram():
 
-    figures = {}
-    figures["E11-9a_amph_E11_ab"] = pp.subplots(1)
-    figures["Fro5-2_amph_Fro_i"] = pp.subplots(1)
-    figures["Fro5-2_amph_Fro_j"] = pp.subplots(1)
-    figures["Fro5-2_amph_Fro_k"] = pp.subplots(1)
-    figures["Fro5-2_amph_Fro_l"] = pp.subplots(1)
-    figures["Fro5-2_amph_Fro_m"] = pp.subplots(1)
-    figures["Fro5-2_amph_Fro_o"] = pp.subplots(1)
-    figures["Fro12-4_amph_Fro_ad"] = pp.subplots(1)
-    figures["Fro12-4_amph_Fro_ah"] = pp.subplots(1)
-    figures["Fro12-4_amph_Fro_ai"] = pp.subplots(1)
-    figures["Fro12-4_amph_Fro_aj"] = pp.subplots(1)
-    figures["Fro1312b1_amph_Fro_bb"] = pp.subplots(1)
-    figures["Fro1312b1_amph_Fro_be"] = pp.subplots(1)
-    figures["Fro1312b1_amph_Fro_bi"] = pp.subplots(1)
-    figures["Rane10-3_amph_Rane_a"] = pp.subplots(1)
-    figures["Rane10-3_amph_Rane_b"] = pp.subplots(1)
-    figures["Rane10-3_amph_Rane_c"] = pp.subplots(1)
-    figures["Rane10-3_amph_Rane_e"] = pp.subplots(1)
-    figures["Rane10-3_amph_Rane_f"] = pp.subplots(1)
-    figures["Rane10-4_amph_Rane_g"] = pp.subplots(1)
-    figures["Rane10-4_amph_Rane_l"] = pp.subplots(1)
-    figures["Rane10-4_amph_Rane_m"] = pp.subplots(1)
-    figures["Rane10-10_amph_Rane_p"] = pp.subplots(1)
-    figures["Rane10-10_amph_Rane_q"] = pp.subplots(1)
-    figures["Rane10-10_amph_Rane_r"] = pp.subplots(1)
-    figures["Rane10-10_amph_Rane_s"] = pp.subplots(1)
-    figures["Rane10-10_amph_Rane_t"] = pp.subplots(1)
-    figures["Rane10-10_amph_Rane_u"] = pp.subplots(1)
-    figures["Rane10-10_amph_Rane_v"] = pp.subplots(1)
-    figures["Rane10-10_amph_Rane_w"] = pp.subplots(1)
-
     for g in data_udiagram.data.keys():
 
         dat = data_udiagram.data[g]
 
         for i, zone in enumerate(dat['zones']):
-            fig, ax = figures[f"{g}_{zone}"]
+            name = f"{g}_{zone}"
+            fig, ax = pp.subplots(1, num=name)
             ax.plot(dat['index'][i], dat['al4'][i], label="Al(IV)", color="blue", marker=".")
             ax.plot(dat['index'][i], dat['al6'][i], label="Al(VI)", color="orange", marker=".")
             ax.set_xlabel("No.")
@@ -123,13 +66,11 @@ def plotUdiagram():
 
             fig.savefig(f"uplot_{g}_{zone}.png")
 
-    pp.show()
+    #pp.show()
 
 
 def plotZdiagram():
 
-    #fig, ax = pp.subplots(1)
-
     for g in data_udiagram.data.keys():
 
         fig, ax = pp.subplots(1, num=g)
@@ -145,12 +86,89 @@ def plotZdiagram():
 
         fig.savefig(f"zplot_{g}.png")
 
+    #pp.show()
+
+def plotEdiagram():
+
+    #line =  [[2.75, 1], [2,.75, 0]]
+    line =  [[2.75, 2.075], [1, 0]]
+    labelpositions = {
+            "Epi_E_a": [[2.1,0.8], [2.4,0.1]],
+            "Epi_E_d": [[2.1,0.4], [2.4,0.1]],
+            "Epi_E_h": [[2.1,0.5], [2.4,0.1]],
+            "Epi_E_k": [[1.8,0.4], [2.4,0.1]],
+            "Epi_Fro_a": [[2.1,0.5], [2.4,0.1]],
+            "Epi_Fro_d": [[2.01,0.5], [2.4,0.1]],
+            "Epi_Fro_g": [[2.1,0.8], [2.4,0.1]],
+            "Epi_Fro_k": [[2.1,0.8], [2.4,0.1]],
+            "Epi_Fro_n": [[2,0.5], [2.4,0.1]],
+            "Epi_Fro_q": [[2.1,0.4], [2.4,0.1]],
+            "Epi_Fro_u": [[2.08,0.3], [2.4,0.1]],
+            "Epi_Rane_a": [[2.1,0.8], [2.225,0.02]],
+            "Epi_Rane_d": [[1.7,0.3], [2.4,0.1]],
+    }
+
+    for dataset in data_ediagram.data:
+        #print(dataset)
+        firstname = dataset['labels'][0]
+        fig, ax = pp.subplots(1, num=firstname)
+        ax.plot(line[0], line[1], color="k")
+
+        lens = list(map(len, dataset['al']))
+        for idx in range(len(lens)):
+            labelidx = sum(lens[:idx])
+            label = dataset['labels'][labelidx]
+            aldata = dataset['al'][idx]
+            fedata = dataset['fe'][idx]
+
+            ax.plot(aldata, fedata, linestyle="", marker="o", label=label)
+
+        ax.annotate("Epidote", labelpositions[firstname][0])
+        ax.annotate("Zoisite/Clinozoisite", labelpositions[firstname][1])
+        ax.legend(frameon=False)
+        ax.set_xlabel("Al")
+        ax.set_ylabel("Fe+3")
+        
+        fig.savefig(f"eplot_{firstname}")
     pp.show()
 
+def plotPTdiagram():
+
+    plots = {i: pp.subplots(1, num=i) for i in ["E", "F", "R"]}
+
+    colors={"core": "tab:blue", "transition": "tab:orange", "rim": "tab:green"}
+    
+    for label in data_ptdiagram.data:
+        print(label)
+        fig, ax = pp.subplots(1, num=label)
+        for region in ["core", "transition", "rim"]:
+            # individual sample plot
+            ax.plot(data_ptdiagram.data[label][region]["t"], data_ptdiagram.data[label][region]["p"], marker="o", linestyle="", label=region)
+            # overview plot
+            plots[label[0]][1].plot(data_ptdiagram.data[label][region]["t"],
+                                    data_ptdiagram.data[label][region]["p"],
+                                    marker="o", linestyle="", color=colors[region])
+        ax.legend(frameon=False)
+        ax.set_ylabel("p [kbar]")
+        ax.set_xlabel("T [°C]")
+        ax.set_title(label)
+        fig.savefig(f"ptplot_{label}.png")
+
+    names = {"E": "E11", "F": "Fro", "R": "Rane"}
+    for plot in plots:
+        plots[plot][1].set_ylabel("p [kbar]")
+        plots[plot][1].set_xlabel("T [°C]")
+        plots[plot][1].set_title(names[plot])
+        plots[plot][0].savefig(f"ptplot_{plot}overview.png")
+
+    #pp.show()
+        
 
 if __name__ == "__main__":
     pass
 
     #plotTdiagram()
-    plotUdiagram()
+    #plotUdiagram()
-    plotZdiagram()
+    #plotZdiagram()
+    #plotEdiagram()
+    plotPTdiagram()