changeset 6:f19c0631b9e5 draft default tip

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 7d98b78ae27b24ee581d40ff0b624d7ecb288030
author recetox
date Fri, 01 Nov 2024 08:18:37 +0000
parents 7279d7a37c43
children
files macros.xml mfassignr_snplot.xml test-data/findrecalseries/selected_series_simple.tabular test-data/isofiltr/iso_out.tabular test-data/isofiltr/mono_out.tabular test-data/snplot/plot.png
diffstat 6 files changed, 90 insertions(+), 99 deletions(-) [+]
line wrap: on
line diff
--- a/macros.xml	Tue Oct 22 07:24:18 2024 +0000
+++ b/macros.xml	Fri Nov 01 08:18:37 2024 +0000
@@ -1,5 +1,5 @@
 <macros>
-    <token name="@TOOL_VERSION@">1.1.1</token>
+    <token name="@TOOL_VERSION@">1.1.2</token>
     <xml name="requirements">
         <requirements>
             <requirement type="package" version="@TOOL_VERSION@">r-mfassignr</requirement>
@@ -208,26 +208,6 @@
        </section>
     </xml>
 
-    <xml name="findrecalseries_param">
-        <param name="input_file" type="data" format="tabular" label="Input data"
-               help= "Recalibration series, output from RecalList"/>
-        <param name="global_min" type="float" label="Global min" value="0" min="0"
-               help= "A lower bound of the instrument m/z range."/>
-        <param name="global_max" type="float" label="Global max" value="1000" min="0"
-               help= "A higher bound of the instrument m/z range."/>
-        <param name="number_of_combinations" type="integer" label="Number of combinations"
-               help= "Combinations of how many series should be computed." value="5"/>
-        <param name="abundance_score_threshold" type="float" label="Abundance score threshold" value="100"
-               help= "A threshold for filtering abundance score parameter. The series with higher values are better."/>
-        <param name="peak_distance_threshold" type="float" label="Peak distance threshold" value="2"
-               help= "A threshold for the peak distance parameter. The closer this value is to 1, the better."/>
-        <param name="coverage_threshold" type="integer" label="How many % of the m/z range should be covered."
-               help= "How many % of the m/z range should be covered." value="90"/>
-        <param name="fill_series" type="boolean" truevalue="TRUE" falsevalue="FALSE" label="Whether to return top 10 unique series (TRUE) or series only from the best combination."
-               help= "If TRUE, top 10 unique series will be returned, otherwise only the series from the best
-               combination will be returned." value="false"/>
-    </xml>
-
     <xml name="recal_param">
         <param name="input_file" type="data" format="tabular" label="Input data (Output from MFAssign)"
                help= "Input data frame, the output from MFAssign or MFAssignCHO"/>
--- a/mfassignr_snplot.xml	Tue Oct 22 07:24:18 2024 +0000
+++ b/mfassignr_snplot.xml	Fri Nov 01 08:18:37 2024 +0000
@@ -20,8 +20,8 @@
             df = read.delim("$input_file", sep="\t"),
             cut = cut,
             mass = $mass,
-            window.x = $window_x,
-            window.y = $window_y
+            mass_window = $window_x,
+            abundance_window = $window_y
         )
 
         ggplot2::ggsave(filename = "SNplot.png", SNplot)
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/findrecalseries/selected_series_simple.tabular	Fri Nov 01 08:18:37 2024 +0000
@@ -0,0 +1,11 @@
+"Series"	"Number.Observed"	"Series.Index"	"Mass.Range"	"Tall.Peak"	"Abundance.Score"	"Peak.Score"	"Peak.Distance"	"Series.Score"	"Num_Weight"	"Abund_weight"	"TallP_Weight"	"PeakS_Weight"	"PeakD_Weight"	"Series_Weight"	"Total_score"
+"O_H_7"	12	39	"131.049-299.236"	131.049175570564	172.333212266955	0.840925082711506	1	1.1	25	20	4.36830585235213	5.79537458644247	7	9.16666666666667	71.3303471054613
+"O7_H_4"	11	40	"233.066-415.268"	359.206083268496	-11.5251682369853	0.136136287521764	1	1.3	22.9166666666667	-1.33754464219376	11.9735361089499	9.31931856239118	7	8.125	57.9969766958139
+"O2_H_11"	5	78	"209.06-391.263"	223.074691790747	132.732152227999	0.540579659159889	1	2.8	10.4166666666667	15.4041290685615	7.43582305969157	7.29710170420056	7	6.08695652173913	53.6406770208594
+"O6_H_7"	9	50	"253.071-407.242"	351.1796217	11.6976374801684	0.213201464774084	2	1.3	18.75	1.35756042915837	11.70598739	8.93399267612958	4	8.125	52.872540495288
+"O10_H_3"	7	59	"381.175-465.268"	409.206584131861	2.6997318710302	0.0702879797813004	2	1	14.5833333333333	0.313315330865898	13.640219471062	9.6485601010935	4	10	52.1854282363548
+"O10_H_4"	9	47	"309.081-491.284"	435.222060757962	4.7511651696338	0.655346847143645	2	1.6	18.75	0.551392863526961	14.5074020252654	6.72326576428178	4	7.27272727272727	51.8047879258014
+"O9_H_6"	10	44	"303.07-499.289"	415.195395703443	-21.7793592335313	0.166622042493807	3	1.5	20.8333333333333	-2.52758698651699	13.8398465234481	9.16688978753096	1	7.5	49.8124826577954
+"O8_H_1"	5	69	"213.061-311.169"	311.16936123622	27.8251864824375	0.198145538844287	1	1.6	10.4166666666667	3.22923087388803	10.3723120412073	9.00927230577856	7	7.27272727272727	47.3002091602679
+"O9_H_9"	7	62	"339.071-479.226"	367.101864488525	-18.5226214411156	0.0271291741355916	2	1.6	14.5833333333333	-2.14962875669292	12.2367288162842	9.86435412932204	4	7.27272727272727	45.8075147949739
+"O10_H_6"	6	66	"319.065-487.254"	431.190612941439	-34.0254140710475	0.137560981917351	1	2.2	12.5	-3.94879357536027	14.3730204313813	9.31219509041325	7	6.47058823529412	45.7070101817284
--- a/test-data/isofiltr/iso_out.tabular	Tue Oct 22 07:24:18 2024 +0000
+++ b/test-data/isofiltr/iso_out.tabular	Fri Nov 01 08:18:37 2024 +0000
@@ -451,7 +451,6 @@
 198.11278512548	23941071.6060839	562.734801542562	"S34"
 198.120268298499	74544575.0339617	418.233755768477	"C13"
 198.120642908004	35897295.2062584	503.129833851604	"C13"
-198.1314942	129610721.726295	310.984037232271	"C13"
 198.156573332388	16685411.9229059	723.914434277142	"C13"
 198.193260481641	1058393.75378714	668.988615693481	"C13"
 199.075318147071	3330663.8762492	526.736331724065	"S34"
@@ -737,7 +736,7 @@
 233.13681280613	11601217.5677659	629.635903861914	"S34"
 233.137767293096	106145239.684739	497.079485697109	"S34"
 233.156873358746	953506796.058272	221.997813102967	"C13"
-233.164518791019	2377175.5732822	351.160198568355	"2C13_S34"
+233.164518791019	2377175.5732822	351.160198568355	"C13_S34"
 233.17264326984	26759543.4346631	704.591349841955	"C13"
 233.193187725279	6279641.29710976	432.048268560514	"C13"
 234.007662297674	3130283.5615464	387.961717539371	"C13"
@@ -1006,6 +1005,8 @@
 266.0890161	13747489.3593763	1107.09630971767	"C13"
 266.08960104804	4598830.30706864	1318.98953758419	"C13"
 266.121047085779	1652807060.33466	328.365510817455	"C13"
+266.137944674817	15583537.6586698	644.318859411887	"S34"
+266.137945199801	25036682.5287473	687.51561244119	"S34"
 266.138569394195	27411504.5673577	516.814176836266	"S34"
 266.14610143058	31919885.9936052	605.965387703099	"C13"
 266.156008135692	4026363.12702958	771.121104816267	"C13"
@@ -1052,7 +1053,7 @@
 270.061577636933	7223414.082	190.828425409666	"C13"
 270.090188513168	38407228.1044401	299.754199411796	"C13"
 270.095529546647	4738043.6436134	507.612394817294	"S34"
-270.11161023685	29003399.3628645	193.827926444867	"2C13"
+270.11161023685	29003399.3628645	193.827926444867	"2C13_S34"
 270.112209179863	30332528.0082494	572.962468086796	"2C13_S34"
 270.113400603345	8309656.23723502	573.5095992148	"S34"
 270.115780248034	26701911.1072602	189.319616541621	"C13"
@@ -1097,6 +1098,7 @@
 275.113079053009	45686645.1654632	221.521345551286	"C13"
 275.138798199009	9373722.09749464	276.155953147297	"S34"
 275.138800454968	2806401.01953578	504.738392675469	"S34"
+275.163915496552	4208787.41202026	992.1609078	"S34"
 275.164524267354	21435287.950198	570.428371401183	"S34"
 275.1669710015	71625418.79991	210.229911334887	"C13"
 275.166974814798	44474240.1813179	616.158869844466	"C13"
@@ -1126,7 +1128,7 @@
 277.200682113452	3996097.8905666	568.273413548114	"S34"
 277.201922338214	16327341.9874405	721.664561684639	"C13"
 278.120786510782	66847605.2781117	283.755980937194	"C13"
-278.12078765322	30196447.2482079	385.056241829711	"C13"
+278.12078765322	30196447.2482079	385.056241829711	"C13_S34"
 278.1214095	11248989.5807277	327.364083525523	"C13_S34"
 278.146309979218	131280664.687718	615.9269085	"C13"
 278.183040258862	11836995.1899958	639.247835352584	"C13"
@@ -1144,7 +1146,7 @@
 280.104977962352	172379833.265681	1110.09507063853	"C13"
 280.104980547009	517650650.167541	1319.41470464764	"C13"
 280.136426533088	117552794.304774	244.217300981983	"C13"
-280.136432106673	25739539.4614655	878.591658222163	"C13"
+280.136432106673	25739539.4614655	878.591658222163	"C13_S34"
 280.1370563	304093027.942642	345.606702673352	"C13"
 280.137686043471	66368483.0571297	362.976531290267	"C13_S34"
 280.162229620757	312356357.976981	794.089549310948	"C13"
@@ -1233,6 +1235,8 @@
 289.093099552237	6319648.38620233	265.206603260021	"C13"
 289.109591861834	36046535.5072273	464.216843215372	"C13"
 289.126081455968	14971563.7283304	198.312304315866	"S34"
+289.142577729295	15339737.0985605	484.456997375393	"S34"
+289.142578263216	2174194.1680763	570.363678656577	"S34"
 289.154453225966	6189501.55282963	409.908603935992	"2C13_S34"
 289.154454347054	1920727.33677345	546.681236729011	"2C13_S34"
 289.15445489322	7195495.85029992	600.197256801317	"2C13_S34"
@@ -1254,8 +1258,8 @@
 291.169401540441	2677443.08984007	206.998093005079	"S34"
 291.170069394441	20355298.0787084	330.260645996656	"2C13"
 291.170071199595	25174785.4332078	499.454723259741	"2C13"
-291.170071737031	13596319.2544785	572.712665772014	"2C13"
-291.170073409332	11280383.1142331	724.40080556417	"2C13"
+291.170071737031	13596319.2544785	572.712665772014	"2C13_S34"
+291.170073409332	11280383.1142331	724.40080556417	"2C13_S34"
 291.173405885761	1263162.51105703	638.52094849344	"S34"
 291.199407013227	69867655.5648707	307.75313059224	"C13"
 291.199409908068	339453654.559453	631.585634432429	"C13"
@@ -1273,6 +1277,7 @@
 292.174736545491	18206010.3146186	729.3605171	"S34"
 292.175404495074	8972775.64771223	499.754674195626	"S34"
 292.175405035184	12370393.7766547	530.187713967296	"S34"
+292.190151004457	168697654.660698	534.321359307745	"S34"
 292.201541054423	2707316.05996421	341.910357421219	"2C13"
 293.069444481616	751867.300806119	233.817019506609	"C13"
 293.095033082114	1470993.80746551	598.371048433169	"S34"
@@ -1430,10 +1435,12 @@
 308.135694811015	962357.280047867	808.436972023151	"C13"
 308.1930406	18509721.429991	533.087565049116	"C13"
 308.1930418	23624912.8909964	663.59557732405	"C13"
+308.293986395669	1981154.85339884	856.3934999	"S34"
 308.889032239181	8550877.95397492	1172.94424617242	"S34"
 309.061747498813	11910433.1740199	270.974229838796	"C13_S34"
 309.061750031899	3932189.57610344	467.012047206665	"C13_S34"
 309.120086301792	15417708.6248418	498.19300290005	"S34"
+309.1223375	13243917.954223	176.595264179632	"S34"
 309.147804801222	3107429.11224242	812.507489110331	"S34"
 309.147804801281	13728696.3937277	778.149977407458	"S34"
 309.15436343529	39505774.3778621	178.202061645368	"C13"
@@ -1487,6 +1494,7 @@
 317.123941525517	6132899.64022435	306.029114	"S34"
 317.132278315982	37583668.2490629	383.817417396181	"C13"
 317.133038649704	323518.570359118	608.427847082658	"C13"
+317.210354399221	51475367.3472248	717.805477481859	"S34"
 317.214140679227	92790815.2767886	315.2950871	"C13"
 317.214143832436	16473255.9793872	602.541269836363	"C13"
 317.214899485481	58479830.9	375.533370540488	"C13"
@@ -1507,10 +1515,11 @@
 320.185528239164	17558449.1347441	478.390959592006	"S34"
 320.18629574554	51634169.9282618	358.579017345651	"S34"
 320.193218960245	73388817.39	709.084151614742	"C13"
-320.206288453024	128766664.543859	618.245463021459	"S34"
 320.206289086144	82356326.2612603	680.837221101178	"S34"
 320.2224358	68790767.33	634.646694053851	"S34"
 320.229357627958	21463113.54	753.339367832735	"C13"
+321.096203018471	1947319.67276504	282.30374584147	"S34"
+321.096205000209	2910345.79540276	424.192818131	"S34"
 321.171883920372	29476143.5201465	415.025708753943	"C13"
 321.172655628809	73060966.8517169	364.981269300386	"C13"
 321.172656291055	39223263.2686173	451.191258316378	"C13"
@@ -1524,6 +1533,7 @@
 322.245073801377	27781938.1629419	651.229228968827	"C13"
 323.094631763704	3066534.04567782	200.876379267636	"C13"
 323.138053333405	12582153.1765819	571.36645555039	"S34"
+323.1614400635	4320506.3111536	693.32381998833	"S34"
 323.201199365161	35347238.9756637	503.084824414408	"S34"
 324.125565765561	2750091.23	566.402893836269	"S34"
 324.128696060505	8564752.83201328	365.7480430656	"C13"
@@ -1627,7 +1637,7 @@
 339.090659106906	15547219.8300139	240.141897691532	"C13"
 339.137589254205	5220391.44251775	486.373032115456	"C13"
 339.144293273255	2955742.7600395	438.027554216368	"S34"
-339.16189538492	8327158.44576968	559.998100714441	"C13"
+339.16189538492	8327158.44576968	559.998100714441	"C13_S34"
 339.235666647313	390608051.049735	609.9155674	"C13"
 339.344693336783	402568252.128219	967.833047341524	"C13"
 340.161519579897	4083658.34536309	780.780793879239	"C13"
@@ -1643,7 +1653,7 @@
 341.235760287546	54904167.7878439	550.254934842718	"C13"
 341.250987691235	99147824.2639963	646.113296603736	"C13"
 341.322905067777	605802.820560642	888.756642787222	"C13"
-342.067915411222	1746369.12091245	245.88558733008	"C13"
+342.067915411222	1746369.12091245	245.88558733008	"C13_S34"
 342.067916095819	123538382.941401	306.342812435625	"C13"
 342.067916816135	30758720.190261	357.162429210341	"C13"
 342.153675963349	8455817.93438924	185.722893424508	"S34"
@@ -1652,10 +1662,11 @@
 342.307456291093	1352873.55910304	962.217561656498	"C13"
 343.152921452701	2828904.19371454	784.64607766981	"S34"
 343.164859097304	19441026.1587131	355.924458794121	"S34"
-343.172540671047	28465800.778461	747.802413578679	"C13"
+343.172540671047	28465800.778461	747.802413578679	"C13_S34"
 343.190455985435	5902316.03629422	761.537570977001	"S34"
 343.19301	18729885.9090474	277.385665663174	"C13"
 343.193864575189	65582154.7676835	379.115328721092	"C13"
+343.200692615927	1446380.51444356	605.859133425305	"S34"
 343.266397727413	144414503.714419	714.693809540757	"C13"
 344.10514403345	4733185.29309841	762.99465495234	"C13"
 344.116274106173	55857727.0290949	239.110960956497	"C13"
@@ -1707,8 +1718,10 @@
 350.203181467142	42627789.3248658	673.4855874	"C13"
 350.204058892148	71887863.653609	487.90225461513	"C13"
 350.232203649222	99776365.7457641	649.331213461485	"S34"
+351.1434178	13598936.2626556	612.407167316114	"S34"
 351.191100301523	10624321.6068009	357.604526389464	"2C13"
 351.191985539111	45667910.7336029	529.733037856486	"2C13"
+351.2158313	25364281.7907845	490.363765186995	"S34"
 351.22024951901	619182813.49857	679.225288459603	"C13"
 351.328918474935	7982821.26309018	906.096739013861	"C13"
 351.3289185	13891193.9276173	905.1544522	"C13"
@@ -1716,7 +1729,10 @@
 352.083899696533	4724645.3251011	545.501430255493	"S34"
 352.1761138	40781614.5894882	347.459212180506	"S34"
 352.176114538221	11091220.7673767	434.713830963189	"S34"
-352.1823219733	20888182.6851777	381.159490849193	"C13"
+352.1823219733	20888182.6851777	381.159490849193	"C13_S34"
+352.2115919582	189300385.185988	413.045632351167	"S34"
+352.211593989503	56081743.0463955	620.812220315796	"S34"
+352.211595345999	18667175.366963	744.58464850917	"S34"
 352.247965990471	12032271.5244977	778.824292403228	"S34"
 352.284340817121	1592237.0353156	762.972713128514	"S34"
 353.104722994924	8442543.36891811	336.530354078561	"C13"
@@ -1725,7 +1741,7 @@
 353.180420844063	2559289.44450412	620.799742475044	"C13"
 353.252579195864	1500572.05628021	926.212656474559	"S34"
 353.307823180461	6101957.80026008	841.072436550943	"C13"
-353.322973800374	3132080.61857928	888.810953733449	"C13"
+353.322973800374	3132080.61857928	888.810953733449	"C13_S34"
 353.359516676994	674337.344810295	982.217978963685	"C13"
 354.133576505719	3613687.26714052	651.607936851392	"S34"
 354.154259378753	42445436.6763597	176.167075099633	"S34"
@@ -1734,6 +1750,7 @@
 354.268653085296	25775961.7919631	925.968989877244	"C13"
 354.268655122202	4740143.46834796	1088.7493015625	"C13"
 354.269547870091	50603465.5917651	926.826762382261	"C13"
+354.299077717989	968452.565727948	921.93869624409	"S34"
 355.08071503204	30963996.3413598	352.91818589659	"S34"
 355.131000691154	29938308.184152	382.474765768722	"C13"
 355.15704421987	251656308.290031	271.10733076715	"C13"
@@ -1750,6 +1767,7 @@
 357.099599899653	117214284.011359	197.969680474494	"C13"
 357.173130735479	18534667.0207738	203.009937177605	"C13"
 357.175673059913	6636540.45212579	173.392411841055	"S34"
+357.179299985364	3275364.53746828	514.450076144382	"S34"
 357.245437118506	802229541.463748	607.550802	"C13"
 357.281686096331	6184275.9421059	928.001884955535	"C13"
 357.355100897579	5266572.57799051	857.005951002483	"C13"
@@ -1773,6 +1791,7 @@
 360.263571	269499851.751781	636.273007267824	"2C13"
 360.265406229041	77709663.4589927	637.466700384274	"2C13"
 361.167259056933	61278744.1469834	445.247071110003	"C13"
+361.200421125726	33605035.0957564	608.6628259	"S34"
 361.240954848993	49965732.5049097	503.200061234701	"C13"
 361.257541412133	36168002.5894327	630.174452369937	"S34"
 361.325737625345	41193043.2404823	968.138347302655	"C13"
@@ -1782,14 +1801,11 @@
 362.056794057242	1091177.91836749	881.785756718825	"S34"
 362.122431225105	12681239.0015855	253.489971707634	"S34"
 362.125207587767	10307571.6099489	438.613319052134	"S34"
+362.2315774	15334968.7054504	766.584489169418	"S34"
 362.329662266895	19367542.1082116	1022.19734017984	"2C13"
 363.146397358248	8135244.11012938	418.870555125851	"C13"
 363.183546753654	416079298.248174	578.124025035412	"C13"
 363.202121477666	123640709.900031	411.488671632464	"C13"
-363.216055246917	40896153.9837994	497.096593823017	"S34"
-363.216055919457	67589660.09	574.411124963564	"S34"
-363.216055919515	57151594.4452635	537.968656974198	"S34"
-363.21605732406	21531882.7994248	651.075543296237	"S34"
 363.2197686	18696211.2080806	345.696688177358	"C13"
 363.219772935474	32357389.2286408	698.440809112176	"C13"
 363.250431074538	12744673.3056504	869.344652878863	"C13"
@@ -1812,6 +1828,7 @@
 365.198959168286	205037453.715547	400.759397132565	"C13"
 365.19896066272	1732272629.71277	525.39075389729	"C13"
 365.198962028449	287004668.055794	643.7768443	"C13"
+365.210204004087	1226936.58692628	893.282291943163	"S34"
 365.214883265712	16679945.1607832	596.987244933678	"C13"
 365.246732428003	707662.348446048	942.257569770043	"S34"
 365.344168353673	9638772.14948537	921.224738118735	"C13"
@@ -1890,6 +1907,7 @@
 377.040622911837	4332774.59657445	758.800178336891	"C13"
 377.180165241516	23883309.148996	611.04110847789	"C13"
 377.181144469612	17324649.3209351	332.0837433	"C13"
+377.194908893654	14601761.1300191	468.327357603383	"S34"
 377.195891928277	38576129.9708501	524.677014542771	"S34"
 377.195892625204	32464299.6689346	567.284280690343	"S34"
 377.195893339639	17019111.6881397	622.24632994822	"S34"
@@ -1913,6 +1931,7 @@
 379.177603939433	343303953.183172	426.098405665521	"C13"
 379.215260566812	31172261.1365395	711.750177119628	"C13"
 379.241021932668	26581876.2187518	348.724418847525	"C13"
+379.294547624633	955779.0017	692.812617852283	"S34"
 380.031128789745	9419550.73230575	758.693166048628	"S34"
 380.094755825932	7074313.61330347	273.079300386531	"C13"
 380.205160399708	28365915.2477464	493.112976477052	"S34"
@@ -2010,6 +2029,7 @@
 395.406464018969	11348576.0107659	1032.97060404408	"C13"
 396.148493606063	30232564.1691017	201.60510337651	"C13"
 396.209540155462	26010387.7597353	626.09413956762	"C13"
+396.23599492426	3723936.57421528	337.997417066976	"S34"
 396.252931531978	2193339.37960008	437.590414900345	"S34"
 396.256108503504	17901770.3899407	546.423433077763	"C13"
 396.315395511103	1735440.07963304	983.174966203527	"C13"
@@ -2023,13 +2043,14 @@
 398.224782990502	2908393.03986367	732.154634526584	"C13"
 398.232249388173	7740485.79082937	850.252625226135	"S34"
 399.219441223025	17622945.4719646	659.664598215724	"C13"
+399.233350940699	1887618.61016176	229.111534044575	"S34"
 400.052426609258	2969308.85240635	710.385270213762	"C13"
 400.139415234607	1069056.898	906.340626305497	"C13_S34"
 400.141558000443	30245037.7598616	480.726589291181	"C13"
 400.178079500334	17338134.5364601	476.750134590434	"C13"
 400.181297408737	6556360.19160619	133.478977346992	"S34"
 400.212459531765	25754092.5922022	654.175599847101	"S34"
-401.198403823613	4380775.20964682	677.494377402005	"C13"
+401.198403823613	4380775.20964682	677.494377402005	"C13_S34"
 401.2350685612	2323454.18185849	573.265317217247	"C13"
 401.271739133246	105732905.557259	509.224505807444	"C13"
 401.27173987596	175906264.590665	578.976232555743	"C13"
@@ -2044,6 +2065,7 @@
 404.170560488882	4521378.72682644	452.455121165681	"S34"
 404.177105807233	13600147.7200855	668.719198037615	"C13"
 404.186915422171	22030091.4707672	352.745742250496	"C13"
+404.225084394699	225128389.608244	519.240751925459	"S34"
 404.362536245797	20777083.6033034	859.597738706869	"2C13"
 405.155853603066	24142560.7102766	335.665209172191	"C13"
 405.156948799365	46422214.59	393.339591444476	"C13"
@@ -2060,6 +2082,7 @@
 406.186498791227	25623387.9284684	481.986563182698	"S34"
 406.305171133677	410238.5508	1005.57822006349	"C13"
 406.3073644	1930659.34707923	641.344516068681	"2C13"
+407.056818806961	989245.437636959	127.829741184402	"S34"
 407.0865791	3293769.40966792	358.526352889808	"2C13"
 407.136182219607	56121461.2610626	443.419281607364	"C13"
 407.172561307425	12072076.8661873	345.046046018223	"C13"
@@ -2086,7 +2109,7 @@
 411.251421287984	13938547.4691603	893.285449487904	"S34"
 411.251421288216	14486560.3284979	914.774110021454	"S34"
 411.253665716154	5808419.22789544	1313.48110614311	"C13"
-411.254774685275	3519680.31935578	640.404844660561	"C13"
+411.254774685275	3519680.31935578	640.404844660561	"C13_S34"
 411.292829414991	68867986.2911951	742.526854400715	"C13"
 411.326412520184	566371.161174494	865.942734347998	"C13"
 411.328651402884	4896204.10107791	836.993676120678	"C13"
@@ -2094,14 +2117,17 @@
 412.110007330044	13867289.2558153	219.221359865747	"C13"
 412.133584503261	3736394.60975809	285.0943198	"S34"
 412.141446290198	27005589.9734121	439.937986705073	"C13"
-412.2032069	55995459.1328328	548.732695653446	"C13"
+412.2032069	55995459.1328328	548.732695653446	"C13_S34"
 412.204330710232	49282800.62	616.967940736198	"C13_S34"
 413.083935160829	29718044.6739313	318.62180084441	"S34"
 413.234950004997	25147008.0473077	766.158457109681	"C13"
+413.266514434669	708019.342523185	775.102724725938	"S34"
 413.271021490404	26626203.1899603	620.6453187	"C13"
 413.322885260367	14129514.8715402	552.495486830162	"C13"
 414.1596977381	7872358.89	210.368319285407	"C13"
 414.163090031309	20145554.1152334	154.939407514269	"C13"
+414.197024002289	11702325.74932	178.11146158215	"S34"
+414.246804398615	10163083.3079177	486.542971705827	"S34"
 414.26830220726	8356382.48857623	533.013949274932	"C13"
 414.268307824752	3994047.9164766	958.580823033985	"C13"
 415.050116235012	2720468.66101602	336.458425330202	"C13"
@@ -2114,6 +2140,7 @@
 416.126744685961	6844725.06356732	620.052124562996	"C13"
 417.097801298127	1313327.05502693	259.273805475298	"S34"
 417.142390762921	1093768.47759616	680.536582010386	"S34"
+417.18926926139	5376998.46055113	764.308498696444	"S34"
 417.191553016787	6521209.34073908	479.729064251057	"S34"
 417.22929067886	43142786.613313	532.265798979313	"C13"
 417.246447901715	17445063.59	714.1461107	"S34"
@@ -2125,6 +2152,8 @@
 417.318509727541	65553507.5736611	749.409596977554	"C13"
 417.355117310965	212088473.347321	536.986882498782	"C13"
 418.185856520082	6696320.46374687	670.7915637	"S34"
+418.20650829273	101340460.857397	337.676217038945	"S34"
+418.206509173475	87702800.7749137	385.210695904085	"S34"
 418.214546045893	167453243.614012	624.5336148	"C13"
 418.214546871206	37755936.1184556	659.024549417721	"C13"
 418.243236936608	2503191.19543434	445.356197531572	"S34"
@@ -2159,6 +2188,7 @@
 423.325605853787	688541.405696926	865.28943839935	"C13"
 423.330283384961	444148.986229752	1006.17125880277	"S34"
 423.437834637769	12759842.6990122	1069.14508759801	"C13"
+424.137896877352	2371873.8905835	376.639387681992	"S34"
 424.440716257415	2200553.07251815	1070.84546467893	"2C13"
 425.11598017672	431558.456109291	455.256568872663	"C13"
 425.134803276768	7038364.57303219	670.8894908	"S34"
@@ -2173,6 +2203,8 @@
 425.365452254576	7268741.69287053	1041.61412599799	"C13"
 425.365453067125	2350363.152	1109.447408	"C13"
 426.124593930276	1243013.45331942	204.10718254164	"C13"
+426.210781157582	21087910.7090764	645.325489222073	"S34"
+426.21078279922	28698927.4358157	715.291730235933	"S34"
 426.263923042631	182815.060626299	851.826726574372	"S34"
 426.448215047841	1374902.61016768	959.340098082748	"C13"
 427.098820328133	439522.772239937	215.350633839509	"C13"
@@ -2180,10 +2212,12 @@
 427.214924772016	4087158.39280686	645.129890030352	"S34"
 427.214926417348	2957822.31855085	744.00430338125	"S34"
 427.2161072	9813024.21236206	425.518204654837	"S34"
+427.283664256969	3974385.64443413	1007.28861574023	"S34"
 427.287214087379	4278633.32112838	605.01591558304	"C13"
 427.287214932417	22805517.54	698.027869926611	"C13"
 427.322772942387	38510793.8229035	640.682006055165	"C13"
 427.323960840179	148508639.36072	781.062328697165	"C13"
+428.226270663454	23346375.1989865	753.973144261745	"S34"
 428.278597198453	1878943.53637389	758.686316356269	"S34"
 428.326174293298	7274160.65271361	687.878612225232	"2C13"
 428.326175982063	10718316.3802318	780.967246577613	"2C13"
@@ -2202,7 +2236,6 @@
 432.128102425749	6527887.18402066	182.647859108578	"S34"
 432.16548229184	957572.433019611	876.821501314666	"S34"
 432.183562246245	47042931.217944	557.319592203164	"C13_S34"
-432.185967559197	18457174.4312195	162.728674750299	"S34"
 432.200443538266	45047013.9241331	701.869437393666	"S34"
 432.394633634449	19664615.0239272	898.857236675788	"2C13"
 433.074703899703	1763257.91973606	193.974032280713	"C13"
@@ -2221,6 +2254,8 @@
 435.2318055	44222617.0444959	457.237828990374	"S34"
 436.180071259058	74889408.6879061	346.927520402263	"C13"
 436.180072160339	24607330.896672	422.281846894957	"C13"
+436.194740596672	9145202.60012461	360.405945182637	"S34"
+436.194741498275	22806289.8148641	439.190357905015	"S34"
 436.30112477386	269149.716958287	1006.20748108956	"S34"
 436.361052492535	198624.567085067	918.1235691	"C13"
 437.219759067292	81641842.1507625	602.462302129354	"C13"
@@ -2230,6 +2265,7 @@
 438.157296722877	10574777.6182715	212.059821382131	"C13"
 438.210228376943	29571300.635679	556.145573819254	"S34"
 438.211460165702	15728209.6626418	608.782945461959	"S34"
+438.212688604058	24461309.7210243	413.227641582155	"S34"
 438.447905898542	439523.778233997	989.245049886587	"C13"
 438.449137859782	320513.941394881	964.165923962247	"C13"
 439.234949187913	36874159.7751785	645.381210393141	"C13"
@@ -2238,6 +2274,8 @@
 439.357271590662	1871429.88848642	905.531401849391	"C13"
 440.097199659904	7255683.991908	216.605252617334	"C13"
 440.25706443149	3717724.56965705	239.845140796867	"C13"
+440.262026456357	51640563.29494	515.6850245	"S34"
+440.262028103395	56180917.0957622	614.6110825	"S34"
 440.283104898151	28041162.2808687	784.538227887763	"C13"
 441.090107392094	4330778.96254503	216.170667203313	"S34"
 441.102447116883	36107579.926838	522.144748748899	"C13"
@@ -2289,6 +2327,7 @@
 447.313488942094	5673342.80331183	721.292917281417	"C13"
 447.717460809116	2789836.27087413	245.047966856767	"C13"
 448.197383948302	1528704.86368207	261.762386260299	"S34"
+448.253134341576	304852600.069736	489.616298599702	"S34"
 448.343571098346	1667573.35838185	722.177688936757	"S34"
 448.3486703	17242711.9142945	1004.9717969297	"C13"
 448.3486711	13651334.4294941	1013.36499263506	"C13"
@@ -2329,6 +2368,7 @@
 457.225089036636	8432331.35688402	608.322452379338	"C13"
 457.232958157045	2289542.86473987	447.4302248	"2C13"
 457.234270133845	9057162.9743913	447.59971510062	"2C13"
+458.288299135714	8020959.70675912	511.66728915997	"S34"
 458.289615657582	11961581.8479457	477.513528742964	"S34"
 458.312005373775	1464038.10517579	1023.01609089805	"S34"
 458.890553405071	2986512.45423221	1281.55937375128	"C13"
@@ -2350,6 +2390,7 @@
 462.28354679831	528156.6021	758.819703239689	"S34"
 462.302215753236	5152142.29238861	453.957246510187	"C13"
 462.303555010746	1566371.85524756	781.338716536045	"C13"
+462.31956080044	933086.839481452	728.999820966872	"S34"
 462.330236037043	1072722.40890893	989.133595926794	"C13"
 462.3422420549	2684835.58629135	976.17483841634	"C13"
 462.363860907176	2000068.02422377	1017.28504062047	"C13"
@@ -2363,6 +2404,8 @@
 465.230439568106	4082325.89952679	444.903554130912	"S34"
 465.262757438145	13875930.7998698	353.807182288198	"S34"
 465.287004214912	86010454.6503404	752.63968413944	"C13"
+466.1380001	1357017.02659344	990.60214300181	"S34"
+466.205524763253	67785235.81	505.6724337	"S34"
 466.478510042375	488840.418004069	998.828156239634	"C13"
 467.225690299366	6588300.5460761	722.797490879011	"S34"
 467.2311058	23970833.9765983	391.728796226719	"C13"
@@ -2405,7 +2448,7 @@
 476.3337031	13901639.9325744	841.619581187428	"C13"
 476.416026400376	87562633.0817217	1140.49245231835	"C13"
 477.080916933334	4397964.06915489	190.332005838086	"C13"
-477.163432594307	7344560.73064086	464.863080326152	"2C13"
+477.163432594307	7344560.73064086	464.863080326152	"2C13_S34"
 477.192809119435	113199958.968233	636.7191237	"C13"
 477.213789292975	32446718.0169101	419.841791671022	"C13_S34"
 477.307529931832	82985438.519289	407.032889610084	"C13"
@@ -2416,10 +2459,13 @@
 479.172676704486	4691414.4299604	539.886196851522	"C13_S34"
 479.193789469132	120808691.429575	492.765599881207	"C13"
 479.209274586509	80453851.0577259	598.860517053426	"C13"
+479.226166444781	23818979.6922602	495.925430246591	"S34"
+479.226167330729	39693650.03	531.184191332583	"S34"
 479.265587206262	70588616.0455092	527.491032930238	"C13"
 479.266996055467	36369628.7434497	604.395338830877	"C13"
 479.266997002944	109334795.547706	648.879970835553	"C13"
 479.29937954355	12720574.0217518	561.013230241926	"C13"
+479.312050732579	3207024.51611706	406.486448037546	"S34"
 482.135117433278	3192604.28716499	508.986092922744	"C13"
 483.16955459511	4289567.64305926	292.566445695472	"C13"
 483.237975188856	28975700.2017335	632.257381918728	"S34"
@@ -2446,6 +2492,7 @@
 488.334114069463	19496999.3552835	882.4803052	"C13"
 489.336283434152	900649.6811	880.44077680398	"2C13"
 490.169653062943	3275269.22308749	618.890721540511	"S34"
+490.24101462448	2461536.37738184	151.518056081121	"S34"
 490.242470396731	27871109.2248715	394.493316923744	"S34"
 491.265137144474	55611197.9559347	559.466040819332	"C13"
 491.266598292691	34882891.1772035	562.944571	"C13"
--- a/test-data/isofiltr/mono_out.tabular	Tue Oct 22 07:24:18 2024 +0000
+++ b/test-data/isofiltr/mono_out.tabular	Fri Nov 01 08:18:37 2024 +0000
@@ -1947,6 +1947,7 @@
 198.123260770412	13574394.4788487	261.059000792104
 198.123634226571	154984546.656465	165.62807044512
 198.1236353835	127407296.13947	332.259128714369
+198.1314942	129610721.726295	310.984037232271
 198.148336443148	5847928.19385855	357.076369276952
 198.148709916532	1563215.4176542	284.949069760009
 198.148711908004	149811824.857192	538.2576106
@@ -3808,8 +3809,6 @@
 266.119351536042	14063737016.0142	300.561309297329
 266.135611596702	148571717.206172	302.003641037914
 266.137359418162	149560191.679781	311.434376417211
-266.137944674817	15583537.6586698	644.318859411887
-266.137945199801	25036682.5287473	687.51561244119
 266.138209658973	82036580.3398921	257.466279534606
 266.142022501628	45691747.5730606	555.380068655572
 266.14959360854	162326367.272683	217.220691924547
@@ -4049,7 +4048,6 @@
 275.138799329142	89327304.670466	398.0234026039
 275.147987444329	168279800.680172	521.181766229733
 275.159622098827	49295094.3172864	309.617230879815
-275.163915496552	4208787.41202026	992.1609078
 275.184125397692	468320222.532116	540.938469783783
 275.200046063441	224376384.963835	585.376096089965
 275.257644205152	9417783.19980429	880.073775390371
@@ -4456,8 +4454,6 @@
 289.1366375911	7888577.09179227	247.195923269923
 289.138631031229	13010017.4005056	152.95623351938
 289.139277154445	20079080.4437828	327.384666578333
-289.142577729295	15339737.0985605	484.456997375393
-289.142578263216	2174194.1680763	570.363678656577
 289.153791639314	74139197.1196236	280.676390994974
 289.153794010722	19454050.2230301	483.846077961042
 289.16303252034	55001996.6307981	623.895177161996
@@ -4555,7 +4551,6 @@
 292.167365448431	787054.7257	817.889570415938
 292.17339399614	143365713.811704	488.777477239198
 292.1754067	397247426.525436	724.050447508804
-292.190151004457	168697654.660698	534.321359307745
 292.19417068886	79497046.677279	530.973118033316
 292.198863515057	53770385.1083901	647.663591776554
 292.200869650149	17527154.9605663	186.639221217233
@@ -5057,7 +5052,6 @@
 308.257669722964	776783.681277254	793.965043153707
 308.278732876249	29336986.9653945	839.143492198208
 308.293260568107	1057643.61543082	933.556352704685
-308.293986395669	1981154.85339884	856.3934999
 308.669867784392	6090473.84687197	544.949864824906
 308.670594928935	8446134.16463762	507.750611833531
 308.892676999107	4868659.13449737	1316.11999767696
@@ -5069,7 +5063,6 @@
 309.093832310029	57082529.744057	449.928815842294
 309.100392836742	17976433.1187603	192.122085657011
 309.106330950072	7778747.32849139	176.180771158612
-309.1223375	13243917.954223	176.595264179632
 309.13248723431	27675145.2276471	743.938601769665
 309.13321481086	163353655.493118	546.400650204313
 309.133223042925	14166454.6571403	1318.19894239493
@@ -5306,7 +5299,6 @@
 317.20589935018	71421092.2260775	334.590824006761
 317.206561402813	71071888.493873	518.70453031295
 317.209595681136	41481328.2755755	647.6251613
-317.210354399221	51475367.3472248	717.805477481859
 318.063439683784	2404410.48406899	259.19397397876
 318.117491310544	222217152.751921	357.506444312581
 318.132722590108	106171470.702567	588.834628231079
@@ -5371,6 +5363,7 @@
 320.195520443192	157672884.073876	259.558012588229
 320.198597847042	49097611.2279138	454.604102986441
 320.205515741562	179126000.850683	232.218510175451
+320.206288453024	128766664.543859	618.245463021459
 320.224743839356	5972387.19375371	741.85414198317
 320.231660817111	2003299.55357707	369.301588467617
 320.242429965611	49611487.7313439	566.9502676
@@ -5379,8 +5372,6 @@
 320.315741889822	2049092.52307849	1071.69002020281
 320.700485180254	14619356.4198945	455.225179086157
 321.080760396159	40439570.9797775	165.642215314984
-321.096203018471	1947319.67276504	282.30374584147
-321.096205000209	2910345.79540276	424.192818131
 321.110101866101	2739206.15083814	318.2700004
 321.133270127935	133549548.968376	600.7851595
 321.143307460471	100231394.004379	388.414104600121
@@ -5437,7 +5428,6 @@
 323.158318683577	154354957.703596	379.704249280734
 323.159878449776	47871611.7333323	423.275705738323
 323.159879702951	6087200.44169884	563.464253217025
-323.1614400635	4320506.3111536	693.32381998833
 323.184046594753	54212631.0620202	470.660267018844
 323.184827444901	115221078.370168	594.818481570715
 323.184828083672	105704648.815774	657.767367212784
@@ -5972,7 +5962,6 @@
 343.175951682021	101367721.15723	606.197914695425
 343.182774525608	148629183.4764	454.224510688334
 343.185333880358	33688445.4212513	455.034558568374
-343.200692615927	1446380.51444356	605.859133425305
 343.210931027628	594443514.053135	371.977404956547
 343.222874438602	517866606.08774	442.687880401019
 343.237383054389	210671953.087227	693.533969911036
@@ -6149,14 +6138,12 @@
 351.132817520182	23281571.4804912	216.750353677503
 351.133704004739	52618739.9384299	525.44512691898
 351.140767582559	3506901.38217959	487.489612656928
-351.1434178	13598936.2626556	612.407167316114
 351.154010187251	5754944.91856529	319.341667051116
 351.15401165256	14003799.1865666	456.768125601862
 351.156659972671	42055740.7408416	354.176421728288
 351.163724968313	148079786.137424	424.391292834731
 351.1796217	376162235.47708	371.500322958699
 351.2016983	6195404.95456263	400.603875097525
-351.2158313	25364281.7907845	490.363765186995
 351.215832566499	371894339.228317	639.7126149
 351.257349389552	39258143.759624	677.497550264893
 351.292690163551	10955164.4226783	859.6118595
@@ -6175,9 +6162,6 @@
 352.177890314547	58348283.7270731	618.493025800548
 352.195627821179	82633522.4237407	565.804679906478
 352.196515431703	164298982.571215	639.333335538054
-352.2115919582	189300385.185988	413.045632351167
-352.211593989503	56081743.0463955	620.812220315796
-352.211595345999	18667175.366963	744.58464850917
 352.222236942317	206242232.27241	492.0825062
 352.222238955689	49752289.7740948	677.964306396928
 352.231997289468	17673528.6662096	740.036569928259
@@ -6235,7 +6219,6 @@
 354.263282345552	62379407.4107182	706.402178233674
 354.266868828717	6260263.91840767	1309.24817606412
 354.298181457229	2270622.05453605	797.035045252643
-354.299077717989	968452.565727948	921.93869624409
 354.335771457827	15095614.4924848	915.687515200461
 355.047497170306	3488483.31720585	432.923066792782
 355.064552594508	36976491.3939597	263.968442964539
@@ -6309,7 +6292,6 @@
 357.169338726745	72037708.1539822	756.996110826962
 357.172051957118	113101017.554125	368.695221446404
 357.175674461045	18549352.0303028	316.487325889885
-357.179299985364	3275364.53746828	514.450076144382
 357.190170905733	187506413.301998	562.829691066334
 357.190171580685	25918601.3651627	616.976112620306
 357.191078835296	39312805.54	713.991286040034
@@ -6428,7 +6410,6 @@
 361.198579497957	20804895.8127115	703.532867418645
 361.199498603256	51020262.0831783	501.429301486147
 361.200420442837	161305884.711567	555.742338896937
-361.200421125726	33605035.0957564	608.6628259
 361.204102260287	12430915.0783618	311.487052342076
 361.220688524682	230768594.650702	571.670885532826
 361.2335886	4148038.96491225	855.163070390746
@@ -6454,7 +6435,6 @@
 362.215845840734	56624192.4153885	349.604030194694
 362.215847992428	180136723.929743	530.967744769454
 362.216774455844	32341500.9033896	697.350037546353
-362.2315774	15334968.7054504	766.584489169418
 362.234350614413	45504474.1644427	596.094820182286
 362.247305694223	57728968.955689	869.402409402093
 362.251928767055	342251182.20085	636.459858643618
@@ -6479,6 +6459,10 @@
 363.176116028456	90523840.9509174	514.746789937248
 363.201194044798	154969918.301191	552.132759317953
 363.211676745609	4347108.156	200.599454158191
+363.216055246917	40896153.9837994	497.096593823017
+363.216055919457	67589660.09	574.411124963564
+363.216055919515	57151594.4452635	537.968656974198
+363.21605732406	21531882.7994248	651.075543296237
 363.22905864669	7461907.43322081	362.549237200107
 363.239279423848	71127389.4818726	554.899250684817
 363.256001728272	108210110.795097	538.061562508525
@@ -6517,7 +6501,6 @@
 365.1540142845	3635176.09695796	652.891359994602
 365.170866161303	237405330.823445	153.141656573071
 365.180231127588	147091957.187123	483.715202310024
-365.210204004087	1226936.58692628	893.282291943163
 365.217691637346	26635985.2740878	492.546088668655
 365.220503498471	1677991.98977648	682.097256944832
 365.23080695025	184742923.334914	556.492614392618
@@ -6792,7 +6775,6 @@
 377.181146807019	36852206.0101355	469.199297785449
 377.193925098716	15651098.0573408	414.672710238927
 377.193929504869	26888064.0817475	778.479985534992
-377.194908893654	14601761.1300191	468.327357603383
 377.205723188112	122200932.506494	565.1779862
 377.206705567829	7314946143.53331	521.982855771308
 377.216537959549	18989919.2826556	643.6758753
@@ -6843,7 +6825,6 @@
 379.24796087979	48142802.3928772	498.800328480548
 379.265803646486	1474616.38893744	744.388472403509
 379.280673422688	11849129.0775433	937.562432972716
-379.294547624633	955779.0017	692.812617852283
 379.303471323312	1306280.48666075	842.1775225
 379.748947	9298749.72115512	493.897101964077
 380.096743886332	7060302.28225285	177.679522158162
@@ -7195,7 +7176,6 @@
 396.221180911286	194420483.100643	555.008171190296
 396.222240786894	293982313.341546	653.536091840118
 396.230710056981	1756214.7408006	880.109018731943
-396.23599492426	3723936.57421528	337.997417066976
 396.235998862814	40380784.9351389	594.215106139367
 396.237056516188	63672044.8771313	562.784520007066
 396.237058049017	21637308.9144432	705.568351621628
@@ -7263,7 +7243,6 @@
 399.213013477286	2417748.08548082	252.973272738297
 399.221578896607	19616518.7677391	409.661912884789
 399.233350940467	4320943.26286898	254.94469570955
-399.233350940699	1887618.61016176	229.111534044575
 399.235497372158	27836649.2672644	660.976030058566
 399.23870792897	68880009.41	602.320624961962
 399.24620511788	2166041.76890788	894.171266065172
@@ -7356,7 +7335,6 @@
 404.20654761795	89744108.248159	702.02998
 404.206547618707	9533042732.88078	670.198295125939
 404.222905569849	99210651.0753415	668.335321920643
-404.225084394699	225128389.608244	519.240751925459
 404.22726554798	142815252.424943	478.4893383683
 404.227267060807	82123937.21	608.653649607021
 404.246895064736	57227724.8878864	365.584270080548
@@ -7396,7 +7374,6 @@
 406.328250358034	10119341.0577665	938.028429422826
 406.3282519	352213.202999312	1062.97321049686
 406.501959790695	3571589.38070042	670.936405646638
-407.056818806961	989245.437636959	127.829741184402
 407.078864815142	2101162.61164976	419.393722826493
 407.11854480502	2477939.93419315	459.819442454469
 407.162642066701	56854998.4576492	565.086752228509
@@ -7538,7 +7515,6 @@
 413.251857443792	53753052.4196594	654.41904448604
 413.264262091153	11923835.7645889	975.898822083821
 413.265389449069	17983553.5964766	959.361563407021
-413.266514434669	708019.342523185	775.102724725938
 413.289060226891	40086407.7	679.963315890054
 413.308228496086	83628523.9315753	730.302875320651
 413.382659164397	7007845.32627576	899.550395051536
@@ -7550,12 +7526,10 @@
 414.192504295985	4383491.40206693	566.025963158168
 414.193634688415	14862896.4645492	514.5828481
 414.193637056708	31655708.496407	656.790741341269
-414.197024002289	11702325.74932	178.11146158215
 414.201552932652	10351212.7964883	467.560477013929
 414.211737011079	170119284.263668	669.099866674479
 414.232096018759	44466493.5673206	452.223852622474
 414.232099225814	14985034.239839	694.747862586239
-414.246804398615	10163083.3079177	486.542971705827
 414.247938925899	193421547.899905	756.485036606708
 414.249066325772	217763902.120504	465.244910833595
 414.261511876956	5163601.74840053	459.244156803043
@@ -7620,7 +7594,6 @@
 417.157251959623	211886583.794944	547.494179198532
 417.173254758213	9579910.26722589	281.320823537048
 417.174399864334	39307060.671197	354.780846852846
-417.18926926139	5376998.46055113	764.308498696444
 417.210994152317	285886200.644374	594.731729053663
 417.214421539732	298600577.00718	356.030876043128
 417.222432301522	13566285.6178089	768.76021675327
@@ -7638,8 +7611,6 @@
 418.168638745471	128616267.443518	323.433678015778
 418.169785393834	30822010.3834994	285.345707505942
 418.169787975688	253172720.64511	429.620345946852
-418.20650829273	101340460.857397	337.676217038945
-418.206509173475	87702800.7749137	385.210695904085
 418.206510885796	145167270.092099	466.17691131634
 418.240944601529	125256533.21334	647.407995485279
 418.24209317049	13856585.6377671	712.980274468568
@@ -7756,7 +7727,6 @@
 424.122660321526	2981479.02674806	408.596004484428
 424.122660323388	2374419.99001198	455.607219586649
 424.122661182271	3215958.377	498.960653655273
-424.137896877352	2371873.8905835	376.639387681992
 424.141415844603	12448239.3105525	537.02679540354
 424.143755904309	1827154.70475031	243.70678299428
 424.158997952173	126866696.441535	420.473922351232
@@ -7820,8 +7790,6 @@
 426.175359418124	138816312.087262	497.673004854623
 426.194251205881	123466622.3	613.4982845
 426.196610110899	152249916.615242	436.494398844249
-426.210781157582	21087910.7090764	645.325489222073
-426.21078279922	28698927.4358157	715.291730235933
 426.221407257188	117292971.181406	542.122054717959
 426.232034556764	231273851.239328	553.035701010813
 426.232035363978	78575739.7947521	628.785562171585
@@ -7852,7 +7820,6 @@
 427.231514985323	162142340.697144	619.712805409946
 427.268252024474	34595153.0938893	641.3649827
 427.282475770151	3614710.6574809	776.817124706154
-427.283664256969	3974385.64443413	1007.28861574023
 427.303810194859	40134702.7630498	774.454865171403
 427.325144533049	92496555.8282365	670.863931418996
 427.376125356914	3310796.87744697	1014.47155299297
@@ -7866,7 +7833,6 @@
 428.192971948351	84040164.4909281	369.155995959376
 428.211998202866	121981717.5417	472.255011106998
 428.225079885352	69464761.2468648	622.89270179983
-428.226270663454	23346375.1989865	753.973144261745
 428.2286473	88924261.14	601.530882820444
 428.247670808612	37620921.2079131	348.645759558921
 428.261944346139	26339828.4728827	539.900465636443
@@ -7968,6 +7934,7 @@
 432.17391284962	12057300.4346013	252.666498957882
 432.184765331686	99650358.4400313	366.659545688123
 432.18476710186	25132810.9925715	508.889237859933
+432.185967559197	18457174.4312195	162.728674750299
 432.220937310219	70672619.75	403.63114808038
 432.222146506071	589159141.120862	618.806023448429
 432.240235127057	73303651.39	729.748600933997
@@ -8038,8 +8005,6 @@
 436.143400235984	10164328.6849253	296.079513595797
 436.159290965105	104277120.6	455.288629640098
 436.181354894102	22021758.8636221	286.071552193016
-436.194740596672	9145202.60012461	360.405945182637
-436.194741498275	22806289.8148641	439.190357905015
 436.200859035423	2911872.26151252	778.658823315724
 436.21552432494	252905226.961864	442.527957568812
 436.224084908374	215246937.084948	594.727243986439
@@ -8078,7 +8043,6 @@
 438.1769944	73614970.7595629	569.252918884863
 438.195454647849	126771911.681729	347.850269440107
 438.19545644082	35872634.0838229	471.683818688466
-438.212688604058	24461309.7210243	413.227641582155
 438.217616735525	1855228.59370247	733.109037535555
 438.231154605326	164841475.089637	492.805761237962
 438.232388159591	153733929.933031	646.508964287327
@@ -8129,8 +8093,6 @@
 440.249631394043	31424578.0191959	543.16167560398
 440.253346555499	11208286.5722206	337.474047929626
 440.253349280665	250956.501478865	474.452520475721
-440.262026456357	51640563.29494	515.6850245
-440.262028103395	56180917.0957622	614.6110825
 440.278141877041	75914917.4408512	485.263149823674
 440.299220569278	72863040.3902075	716.249745482826
 440.300458647041	22217067.3914832	643.453536071447
@@ -8312,7 +8274,6 @@
 448.206017036631	11257387.4762551	408.233360373581
 448.217479683239	496507768.104625	624.938363243832
 448.223845727225	613150474.952701	548.856347919696
-448.253134341576	304852600.069736	489.616298599702
 448.253136	703622013.530404	596.2302015
 448.253136904259	552946903.4	676.265510154268
 448.262047255514	18838277.2063315	382.159805794382
@@ -8502,7 +8463,6 @@
 458.272498453967	70269820.65	343.67372764765
 458.272500365262	41761704.3912534	427.730421733596
 458.272508354303	15896516.4443566	985.914241607703
-458.288299135714	8020959.70675912	511.66728915997
 458.292249570067	4032773.77027441	549.422511356908
 458.309366814416	97834203.36	704.91257448871
 458.319899888883	45454583.4316254	664.185511302196
@@ -8580,7 +8540,6 @@
 462.306216388527	1670443.87599205	354.839493291729
 462.306217342091	5605968.81457093	408.619380083753
 462.306218279134	4106842.16194794	490.288455761068
-462.31956080044	933086.839481452	728.999820966872
 462.3542468	461974.419075383	862.121197180952
 463.088858696242	4487114.62368511	454.75048830377
 463.128985480723	1702608.97878654	868.4503548
@@ -8638,10 +8597,8 @@
 466.125835862037	524107.673555569	341.577562914833
 466.128538697439	481693.348890603	434.198240393334
 466.132590066552	97348450.4885318	438.246805963253
-466.1380001	1357017.02659344	990.60214300181
 466.170404467096	93662172.2590393	461.948838651162
 466.19471954491	92080235.6799811	536.453165479317
-466.205524763253	67785235.81	505.6724337
 466.225788920902	14066264.5763932	641.8135605
 466.227136143072	73006100.8548653	390.6806084932
 466.227138051183	464338840.717891	475.749897987666
@@ -8856,13 +8813,10 @@
 479.18956565721	111502471.165006	444.343418124967
 479.205052452451	7648210.56259654	598.079211813883
 479.223354564125	15457223.7910889	713.852207245619
-479.226166444781	23818979.6922602	495.925430246591
-479.226167330729	39693650.03	531.184191332583
 479.228983780887	14895294.6022417	587.344023791244
 479.247284515764	177394412.931401	532.673064340043
 479.296566131505	21964307.9044292	731.85520874306
 479.3092372	31904404.07	631.273216553137
-479.312050732579	3207024.51611706	406.486448037546
 479.334587436396	10737427.1841608	742.966237195642
 480.149584476662	126887128.223587	216.957207158715
 480.186294338078	235747234.340003	437.016099676598
@@ -9037,7 +8991,6 @@
 490.206061622032	105884941.92294	589.559016
 490.229369128826	44393551.243901	852.763324693888
 490.236640212202	371470428.295075	149.8837309
-490.24101462448	2461536.37738184	151.518056081121
 490.243927997779	3918842.56299929	460.908532847505
 490.246845913072	9644772.448	706.92319362724
 490.258496152149	9492623.14840407	564.222679250139
Binary file test-data/snplot/plot.png has changed