Mercurial > repos > marie-tremblay-metatoul > 2dnmrannotation

comparison nmr_annotation2d/test-data/duplicateJres.tabular @ 0:8035235e46c7 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Uploaded
author marie-tremblay-metatoul
date Mon, 23 Dec 2019 09:26:20 -0500
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:8035235e46c7
1 ppm1 ppm2 commonMetabolitesList
2 2.452 0 4_hydroxyphenylpropionic_acid carnitine Desaminotyrosine glutamine
3 2.452 -0.013 4_hydroxyphenylpropionic_acid carnitine Desaminotyrosine glutamine
4 2.452 0.013 4_hydroxyphenylpropionic_acid carnitine Desaminotyrosine
5 2.818 -0.013 4_hydroxyphenylpropionic_acid Aspartic_acid Desaminotyrosine
6 2.818 0.013 4_hydroxyphenylpropionic_acid Aspartic_acid Desaminotyrosine
7 3.791 -0.006 alanine glycerol raffinose stachyose
8 3.791 -0.018 alanine glycerol maltose raffinose stachyose
9 3.791 0.006 alanine glycerol raffinose stachyose
10 3.791 0.018 alanine glycerol raffinose stachyose
11 3.655 -0.013 arabinose galactose glycerol maltose ribose
12 3.655 0.013 arabinose galactose glycerol ribose
13 3.671 -0.005 arabinose mannose ribose
14 3.824 -0.011 arabinose ribose stachyose
15 3.824 0.005 arabinose mannose ribose stachyose
16 3.824 -0.005 arabinose mannose ribose stachyose
17 3.824 0.011 arabinose Ethanolamine ribose stachyose
18 3.905 -0.012 arabinose Aspartic_acid glucose mannose raffinose ribose stachyose
19 3.905 -0.009 arabinose Aspartic_acid glucose mannose raffinose ribose stachyose sucrose
20 3.905 0.009 arabinose Aspartic_acid glucose mannose raffinose ribose stachyose sucrose
21 4.013 0.004 arabinose asparagine Histidine ribose
22 5.248 -0.002 arabinose glucose maltose
23 5.248 0.003 arabinose glucose maltose
24 4.014 -0.01 asparagine Histidine
25 4.014 0.01 asparagine Histidine
26 4.014 -0.002 asparagine Histidine raffinose ribose
27 4.014 0.002 asparagine arabinose Histidine raffinose
28 2.817 -0.011 Aspartic_acid 4_hydroxyphenylpropionic_acid Desaminotyrosine
29 2.817 0.011 Aspartic_acid 4_hydroxyphenylpropionic_acid Desaminotyrosine
30 3.906 -0.01 Aspartic_acid arabinose glucose mannose raffinose stachyose
31 3.906 0.01 Aspartic_acid arabinose glucose mannose raffinose stachyose
32 3.906 -0.004 Aspartic_acid raffinose stachyose
33 3.906 0.004 Aspartic_acid raffinose stachyose
34 3.273 0 betaine taurine
35 3.908 0 betaine cholic_acid raffinose stachyose
36 0.898 -0.012 Butyric acid 2_hydroxybutyric_acid 3_methyl-2-oxovaleric acid valeric_acid
37 0.902 0 Butyric acid 2_hydroxybutyric_acid 3_methyl-2-oxovaleric acid valeric_acid
38 0.907 0.013 Butyric acid 2_hydroxybutyric_acid 3_methyl-2-oxovaleric acid
39 1.57 0.019 Butyric acid cholic_acid
40 1.57 -0.018 Butyric acid cholic_acid
41 2.17 0.013 Butyric acid octanoic_acid
42 2.17 -0.012 Butyric acid octanoic_acid
43 1.73 -0.026 Cadaverine Lysine
44 1.729 0 Cadaverine Lysine
45 1.729 0.013 Cadaverine Lysine
46 1.731 -0.013 Cadaverine Lysine
47 3.022 0.012 Cadaverine 5aminovalericacid gaba
48 3.022 -0.012 Cadaverine 5aminovalericacid gaba
49 3.024 0 Cadaverine 5aminovalericacid gaba Lysine
50 2.446 0.013 carnitine 4_hydroxyphenylpropionic_acid Desaminotyrosine
51 2.446 -0.013 carnitine 4_hydroxyphenylpropionic_acid Desaminotyrosine
52 2.445 0.027 carnitine glutamine
53 2.445 0 carnitine 4_hydroxyphenylpropionic_acid Desaminotyrosine
54 3.234 0 carnitine gpc
55 3.422 0.015 carnitine glucose
56 3.422 -0.015 carnitine glucose
57 3.434 0 carnitine maltose rahmnose taurine
58 3.422 -0.009 carnitine Proline taurine
59 3.529 0.008 CholineChloride ribose
60 3.529 -0.008 CholineChloride ribose
61 4.069 0 CholineChloride cholic_acid myo_inositol raffinose stachyose sucrose tryptophan
62 4.069 0.009 CholineChloride tryptophan
63 3.937 0 creatine mannose ribose
64 2.454 -0.013 Desaminotyrosine 4_hydroxyphenylpropionic_acid carnitine glutamine
65 2.454 0.013 Desaminotyrosine 4_hydroxyphenylpropionic_acid carnitine
66 2.822 -0.013 Desaminotyrosine 4_hydroxyphenylpropionic_acid Aspartic_acid
67 2.822 0.012 Desaminotyrosine 4_hydroxyphenylpropionic_acid Aspartic_acid
68 3.741 0 Dimethylglycine galactose
69 3.5 -0.002 galactose cholic_acid glucose
70 3.498 0.015 galactose glucose
71 3.658 -0.011 galactose arabinose glycerol
72 3.658 -0.005 galactose Ethanol glycerol ribose stachyose
73 3.658 0.005 galactose Ethanol glycerol ribose stachyose
74 3.658 0.011 galactose arabinose
75 3.723 -0.016 galactose glucose
76 3.723 0.016 galactose glucose
77 3.723 -0.004 galactose glucose
78 3.723 0.004 galactose glucose
79 3.736 0 galactose Dimethylglycine
80 3.76 -0.002 galactose Lysine phenylacetylglycine
81 3.762 0.008 galactose glucose Lysine maltose raffinose ribose
82 3.763 -0.009 galactose glutamic acid Lysine raffinose ribose
83 3.812 -0.012 galactose maltose rahmnose ribose
84 3.812 0.005 galactose maltose rahmnose sucrose
85 3.812 -0.006 galactose maltose rahmnose ribose sucrose
86 3.812 0.012 galactose maltose rahmnose ribose
87 3.863 -0.012 galactose maltose mannose Methionine rahmnose stachyose
88 3.863 -0.006 galactose Ethanolamine maltose mannose Serine stachyose
89 3.863 0.006 galactose maltose mannose ribose Serine stachyose
90 3.863 0.012 galactose maltose mannose Methionine rahmnose stachyose
91 3.255 0 glucose arginine
92 3.422 0.016 glucose carnitine
93 3.422 -0.016 glucose carnitine
94 3.422 0 glucose Proline taurine
95 3.475 0 glucose sucrose
96 3.475 0.015 glucose sucrose
97 3.502 -0.015 glucose galactose
98 3.502 0 glucose cholic_acid galactose
99 3.502 0.015 glucose galactose
100 3.545 0.011 glucose myo_inositol
101 3.545 -0.005 glucose myo_inositol ribose
102 3.545 0.005 glucose myo_inositol ribose
103 3.545 -0.012 glucose myo_inositol
104 3.731 -0.015 glucose galactose stachyose
105 3.721 -0.016 glucose galactose
106 3.732 0.015 glucose galactose mannose stachyose
107 3.721 0.016 glucose galactose
108 3.732 -0.006 glucose galactose mannose stachyose
109 3.732 0.005 glucose galactose mannose stachyose
110 3.843 0.009 glucose inosine raffinose sucrose
111 3.839 0.011 glucose raffinose ribose
112 3.844 -0.01 glucose Ethanolamine raffinose sucrose
113 3.839 -0.011 glucose raffinose ribose
114 3.901 -0.012 glucose arabinose Aspartic_acid mannose raffinose ribose stachyose
115 3.901 -0.009 glucose arabinose Aspartic_acid mannose raffinose ribose stachyose sucrose
116 3.901 0.008 glucose arabinose Aspartic_acid mannose raffinose ribose sucrose
117 3.902 0.012 glucose arabinose Aspartic_acid mannose raffinose ribose stachyose
118 5.243 -0.003 glucose arabinose maltose
119 5.243 0.003 glucose arabinose maltose
120 3.656 -0.013 glycerol arabinose galactose maltose ribose
121 3.656 -0.006 glycerol arabinose Ethanol galactose ribose stachyose
122 3.656 0.006 glycerol Ethanol galactose ribose stachyose
123 3.791 -0.011 glycerol arginine glutamine ornithine
124 3.791 0 glycerol arginine glutamine maltose ornithine
125 3.791 0.01 glycerol arginine glutamic acid glutamine ornithine
126 3.791 -0.007 glycerol alanine
127 3.791 0.007 glycerol alanine
128 3.969 0 hippuric_acid maltose raffinose
129 4.015 -0.011 Histidine asparagine
130 4.015 0.01 Histidine asparagine
131 4.015 -0.002 Histidine asparagine raffinose ribose
132 4.015 0.002 Histidine arabinose asparagine raffinose
133 7.21 0.013 indoxylsulfate tryptophan
134 7.21 -0.013 indoxylsulfate tryptophan
135 7.21 0 indoxylsulfate indole_3_propionic_acid tryptophan
136 7.283 -0.013 indoxylsulfate tryptophan
137 7.283 0.013 indoxylsulfate tryptophan
138 7.283 0 indoxylsulfate tryptophan
139 3.687 -0.004 Isoleucine raffinose ribose
140 3.683 0.003 Isoleucine raffinose sucrose
141 1.333 0.006 Lactic acid threonine
142 1.333 -0.006 Lactic acid threonine
143 4.117 -0.006 Lactic acid ribose
144 4.117 0.006 Lactic acid ribose
145 3.741 -0.005 mannose galactose glucose raffinose stachyose
146 3.741 -0.015 mannose galactose raffinose stachyose
147 3.741 0.005 mannose galactose glucose raffinose stachyose
148 3.823 0.004 mannose arabinose maltose ribose stachyose
149 3.823 -0.004 mannose arabinose maltose ribose stachyose
150 3.856 -0.011 mannose galactose maltose raffinose ribose stachyose
151 3.856 -0.005 mannose galactose hydroxyisovaleric inosine ribose stachyose
152 3.856 0.005 mannose galactose hydroxyisovaleric inosine ribose stachyose
153 3.856 0.011 mannose galactose maltose raffinose ribose stachyose sucrose
154 3.91 -0.012 mannose arabinose Aspartic_acid glucose maltose raffinose stachyose
155 3.91 0.009 mannose arabinose Aspartic_acid glucose maltose raffinose stachyose
156 3.91 0.012 mannose arabinose Aspartic_acid glucose maltose raffinose stachyose
157 3.943 0 mannose arabinose creatine ribose
158 3.956 0 mannose arabinose raffinose
159 3.544 0.011 myo_inositol glucose
160 3.544 -0.006 myo_inositol glucose ribose
161 3.544 0.006 myo_inositol glucose ribose
162 3.544 -0.011 myo_inositol glucose
163 4.073 0 myo_inositol cholic_acid CholineChloride raffinose stachyose
164 2.012 -0.021 Proline hydroxyisovaleric
165 2.011 -0.01 Proline hydroxyisovaleric
166 2.012 0.01 Proline hydroxyisovaleric
167 2.012 0.021 Proline hydroxyisovaleric
168 3.423 0.001 Proline glucose taurine
169 3.423 -0.009 Proline carnitine taurine
170 3.423 0.01 Proline carnitine taurine
171 4.141 0.013 Proline stachyose
172 4.141 -0.013 Proline ribose stachyose
173 4.14 -0.002 Proline ribose
174 4.142 0.002 Proline ribose stachyose
175 3.275 0 taurine betaine
176 3.43 0 taurine carnitine glucose maltose Proline
177 1.34 0.005 threonine Lactic acid
178 1.339 -0.006 threonine Lactic acid
179 3.603 0.004 threonine maltose rahmnose
180 3.604 -0.005 threonine rahmnose
181 4.063 -0.002 tryptophan cholic_acid CholineChloride raffinose stachyose sucrose
182 7.204 0.012 tryptophan indoxylsulfate
183 7.204 -0.012 tryptophan indoxylsulfate
184 7.204 0 tryptophan indoxylsulfate
185 7.288 -0.012 tryptophan indoxylsulfate
186 7.288 0.013 tryptophan indoxylsulfate
187 7.288 0 tryptophan indoxylsulfate
188 7.548 -0.006 tryptophan Uracil
189 7.549 0.007 tryptophan Uracil
190 7.552 -0.006 Uracil tryptophan
191 7.552 0.007 Uracil tryptophan
192 0.998 -0.006 valine cholic_acid
193 0.996 0.006 valine cholic_acid
194 1.047 -0.006 valine 2_methylbutyric_acid
195 1.047 0.006 valine 2_methylbutyric_acid
196 3.62 -0.004 valine gpc rahmnose
197 3.62 0.004 valine gpc rahmnose