move point and submit new version

TODO.md

@@ -44,4 +44,4 @@ For v4.0 (first round of comments from reviewers):
 - [x] Metadata for all column of CSVs
 - [x] Update Zenodo
 - [x] Mark change properly!
-- [ ] Move point in graphs
+- [x] Move point in graphs

analyses/plot_pot_exp.py

@@ -149,7 +149,7 @@ def plot_corr(ax, data: pandas.DataFrame, solvent: str):
 )
 
 if args.reposition_labels:
-    positioner.optimize(dx=1e-3, beta=1e4, krep=1, kspring=1000, c=0.05, b0=0.015, scale=[0.5, 1])
+    positioner.optimize(dx=1e-3, beta=1e3, krep=1, kspring=1000, c=0.05, b0=0.015, scale=[0.5, 1])
     positioner.save(LABELS_PATH['acetonitrile'])
 
 positioner.add_labels(ax2)

analyses/pot_exp_acetonitrile.pos

@@ -1,21 +1,20 @@
 ,label,x,y
-0,2,0.44140708230509057,0.8366884857780548
-1,3,0.6166005850420893,0.9386719681260794
-2,4,0.49933055647858615,1.073098215010957
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+17,54,0.8265125074271095,1.0881831646812687
+18,55,0.8737197397567709,1.1601992439779316

analyses/pot_exp_water.pos

@@ -1,13 +1,13 @@
 ,label,x,y
-0,2,0.81342058568905,0.7350678650955966
-1,3,0.8929650859248974,0.7964092114092554
-2,4,0.837214525056019,0.8228864282455809
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-11,58,1.0306201271501252,0.948496387841826
+0,2,0.8145091351482211,0.7425208983700662
+1,3,0.8857770530971386,0.8127435517508892
+2,4,0.835131112397576,0.8175159901497898
+3,6,0.9095179892673166,0.8289850928102197
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+7,15,0.9698042016414116,0.8600760940026594
+8,18,0.862326695343019,0.823009391639874
+9,56,0.9019875934482847,0.8769899045381165
+10,57,0.7926600519071707,0.8451940647446919
+11,58,1.0157194104618381,0.9479982166165659

analyses/pot_matsui_acetonitrile.pos

@@ -1,21 +1,21 @@
 ,label,x,y
-0,2,0.7790057830806217,0.8628472025562879
-1,3,0.9490561866369548,0.9387598943957725
-2,4,0.864477061021585,1.0480030746754458
-3,6,0.9275455617262816,0.8907854376560402
-4,12,1.1070826299393757,1.0270576839571264
-5,61,0.9230913701009252,0.9946635538756636
-6,15,1.0334342190208217,0.9678716174815154
-7,58,1.0123597325071425,1.0749916080920945
-8,59,0.96525328781157,1.1215643197244352
-9,23,1.0691678842974146,1.047984859117479
-10,24,1.0681482947376755,1.0756138723376696
-11,25,0.9750804402807908,0.9768566576125046
-12,26,1.0005317662464805,1.0436578003528152
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+13,27,1.0570848571804115,1.0128823360281556
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+17,51,0.9130104157715738,1.0887713235847172
+18,54,1.1667035491686126,1.0941012583757426
+19,55,1.197754004299477,1.160715252074806

analyses/pot_matsui_water.pos

@@ -1,13 +1,13 @@
 ,label,x,y
-0,2,0.7317522488533128,0.7475348994234288
-1,3,0.825241187360119,0.7959288524319228
-2,4,0.7697181380993,0.8212392626081266
-3,6,0.8401091553332187,0.832691015522909
-4,11,0.8838598450754033,0.8980001631915052
-5,12,0.9495543784042751,0.9080061185255789
-6,13,0.7892076913827715,0.7849089386212346
-7,15,0.8955977653454654,0.8660758055682654
-8,18,0.791745800567328,0.8093548483189891
-9,56,0.838522031743388,0.8759842460158962
-10,57,0.7106871839375065,0.8490729188849583
-11,58,0.9464609647842366,0.953756411856792
+0,2,0.7290082895434867,0.7362993943903341
+1,3,0.826318666222742,0.7964041605138035
+2,4,0.7700078116205633,0.8219044500726969
+3,6,0.8424486659370187,0.8300983101286887
+4,11,0.886208862658985,0.900121533186928
+5,12,0.9585842548490303,0.9175764364652397
+6,13,0.7861976421560861,0.7856556076600634
+7,15,0.8988942891394133,0.8618372618150509
+8,18,0.7913482071303323,0.8101852981274174
+9,56,0.8417225173395432,0.8732888098487313
+10,57,0.7263449830878234,0.845255593254135
+11,58,0.9466051720694783,0.9535225079228838

analyses/pot_solv_ox.pos

@@ -1,21 +1,21 @@
 ,label,x,y
-0,2,5.085408787946036,4.968908530994602
-1,3,5.152640773863144,5.1538974345360336
-2,4,5.109487829647734,5.057216344463541
-3,6,5.187295435108346,5.087694260839548
-4,12,5.335063086242374,5.249904432804176
-5,61,5.187045379538231,5.169350936659213
-6,15,5.2784797052313115,5.1950163286066156
-7,58,5.3170487307897325,5.220014326152566
-8,59,5.219390300798725,5.130357538562249
-9,23,5.284926091039043,5.232586660272585
-10,24,5.273289218356043,5.2742752028108235
-11,25,5.2233466845005525,5.165256353483997
-12,26,5.207169711944876,5.216637106855316
-13,27,5.239499365072644,5.249238304559479
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-16,36,5.245398426851737,5.21277189116074
-17,51,5.166964608540825,5.119080103303355
-18,54,5.321706603302276,5.348047922729007
-19,55,5.402020661860142,5.4168382184952835
+0,2,5.100423507420165,5.005132287497425
+1,3,5.152493392795948,5.153489462316153
+2,4,5.148670513510475,5.050307676537267
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+19,55,5.394776122463517,5.386038835762653

analyses/pot_solv_red.pos

@@ -1,21 +1,21 @@
 ,label,x,y
-0,2,2.953027419607695,2.37911929280321
-1,3,3.0064468139028238,2.4116715896477485
-2,4,2.985592971355347,2.3679825341629805
-3,6,2.9752836787006096,2.415491603039949
-4,12,3.157948073153017,2.4692373139805435
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data/README.md

@@ -1,6 +1,6 @@
 # Data package for this publication
 
-Description of the data is found in [`datapackage.json`] described using the [Frictionless format for data package](https://specs.frictionlessdata.io/data-package/) (which is more or less self-explainatory).
+Description of the data is found in [`datapackage.json`](datapackage.json) described using the [Frictionless format for data package](https://specs.frictionlessdata.io/data-package/) (which is more or less self-explainatory).
 In particular, [field descriptors](https://specs.frictionlessdata.io/table-schema/#field-descriptors) are provided.
 
 Validate the schema and the data using:

nitroxides.tex

@@ -13,7 +13,7 @@
 %% \documentclass[final,5p,times,twocolumn]{elsarticle}
 
 
-\usepackage[]{changes}
+\usepackage[final]{changes}
 
 \usepackage{hyperref}
 \usepackage{amsmath}