Fix peaklist with recalculated intensities.

NILU/MSBNK-NILU-NL0001.txt

@@ -21,59 +21,59 @@ MS$FOCUSED_ION: BASE_PEAK 77.01971
 PK$SPLASH: splash10-05r3-9600000000-6e8f11f7afe9c97c0b4c
 PK$NUM_PEAK: 55
 PK$PEAK: m/z int. rel.int.
-51.00412 7721918 5.658
-57.01353 1620634 1.187
-65.01975 13826560 10.13
-68.99468 52927896 38.778
-75.00413 4579846 3.355
-77.01971 130060840 95.29
-78.02312 4587764 3.361
-89.01978 5350402 3.92
-92.93354 41817084 30.638
-92.99477 3277919 2.402
-94.93147 39887248 29.224
-95.01039 10235505 7.499
-96.98969 2357623 1.727
-99.99313 12662653 9.277
-106.93147 1434364 1.051
-106.94916 27277146 19.985
-108.01821 3922581 2.874
-108.94713 28470678 20.859
-109.02605 4055993 2.972
-110.92406 8341659 6.112
-112.92201 8781000 6.433
-113.00095 10673505 7.82
-115.0166 7545636 5.528
-118.99153 19013334 13.93
-119.0104 2470868 1.81
-127.01657 4626538 3.39
-128.91463 3696500 2.708
-130.91261 3936830 2.884
-130.99152 41213820 30.196
-131.99487 1381720 1.012
-133.0136 4452393 3.262
-134.94405 1900100 1.392
-136.94202 2824604 2.069
-137.0009 1544562 1.132
-139.01656 2198554 1.611
-145.00716 7080304 5.187
-154.93019 2350272 1.722
-156.92816 2216820 1.624
-156.94592 18346052 13.441
-158.94385 16896870 12.38
-162.99773 4161410 3.049
-168.98819 2848449 2.087
-169.00708 1549945 1.136
-180.98827 5144968 3.77
-191.00099 4848739 3.552
-207.00388 2073725 1.519
-212.99451 7847766 5.75
-225.04295 3082489 2.258
-230.98515 1610096 1.18
-242.98508 2269200 1.663
-257.00092 3948520 2.893
-262.99149 5219620 3.824
-277.00693 2605992 1.909
-280.98181 1819660 1.333
-327.00384 2231622 1.635
+  51.00412 7721918 59
+  57.01353 1620634 12
+  65.01975 13826560 106
+  68.99468 52927896 407
+  75.00413 4579846 35
+  77.01971 130060840 999
+  78.02312 4587764 35
+  89.01978 5350402 41
+  92.93354 41817084 321
+  92.99477 3277919 25
+  94.93147 39887248 306
+  95.01039 10235505 79
+  96.98969 2357623 18
+  99.99313 12662653 97
+  106.93147 1434364 11
+  106.94916 27277146 210
+  108.01821 3922581 30
+  108.94713 28470678 219
+  109.02605 4055993 31
+  110.92406 8341659 64
+  112.92201 8781000 67
+  113.00095 10673505 82
+  115.0166 7545636 58
+  118.99153 19013334 146
+  119.0104 2470868 19
+  127.01657 4626538 36
+  128.91463 3696500 28
+  130.91261 3936830 30
+  130.99152 41213820 317
+  131.99487 1381720 11
+  133.0136 4452393 34
+  134.94405 1900100 15
+  136.94202 2824604 22
+  137.0009 1544562 12
+  139.01656 2198554 17
+  145.00716 7080304 54
+  154.93019 2350272 18
+  156.92816 2216820 17
+  156.94592 18346052 141
+  158.94385 16896870 130
+  162.99773 4161410 32
+  168.98819 2848449 22
+  169.00708 1549945 12
+  180.98827 5144968 40
+  191.00099 4848739 37
+  207.00388 2073725 16
+  212.99451 7847766 60
+  225.04295 3082489 24
+  230.98515 1610096 12
+  242.98508 2269200 17
+  257.00092 3948520 30
+  262.99149 5219620 40
+  277.00693 2605992 20
+  280.98181 1819660 14
+  327.00384 2231622 17
 //

NILU/MSBNK-NILU-NL0033.txt

@@ -21,28 +21,28 @@ MS$FOCUSED_ION: BASE_PEAK 308.17566
 PK$SPLASH: splash10-0a4i-0119000000-92a7b774d5cc7a49bb4f
 PK$NUM_PEAK: 24
 PK$PEAK: m/z int. rel.int.
-  103.05432 15000000 15
-  118.54466 15000000 15
-  120.05566 32000000 32
-  130.06523 11000000 11
-  131.04924 14000000 14
-  132.56029 34000000 34
-  133.06484 54000000 54
-  145.06484 12000000 12
-  146.57588 18000000 18
-  147.08052 15000000 15
-  167.07295 16000000 16
-  180.08083 22000000 22
-  183.06784 11000000 11
-  224.08185 26000000 26
-  252.11311 141000000 141
-  253.11658 22000000 22
-  266.12933 15000000 15
-  280.14453 37000000 37
-  292.14462 15000000 15
-  308.17566 999000000 999
-  309.17926 201000000 201
-  310.18271 20000000 20
-  323.1991 195000000 195
-  324.20276 42000000 42
+  103.05432 70312740 15
+  118.54466 70312740 15
+  120.05566 150000512 32
+  130.06523 51562676 11
+  131.04924 65625224 14
+  132.56029 159375544 34
+  133.06484 253125864 54
+  145.06484 56250192 12
+  146.57588 84375288 18
+  147.08052 70312740 15
+  167.07295 75000256 16
+  180.08083 103125352 22
+  183.06784 51562676 11
+  224.08185 121875416 26
+  252.11311 660939756 141
+  253.11658 103125352 22
+  266.12933 70312740 15
+  280.14453 173438092 37
+  292.14462 70312740 15
+  308.17566 4682828484 999
+  309.17926 942190716 201
+  310.18271 93750320 20
+  323.1991 914065620 195
+  324.20276 196875672 42
 //

NILU/MSBNK-NILU-NL0034.txt

@@ -21,34 +21,34 @@ MS$FOCUSED_ION: BASE_PEAK 300.08972
 PK$SPLASH: splash10-0uxr-0619000000-7cc9e26cb6c02e4f547c
 PK$NUM_PEAK: 30
 PK$PEAK: m/z int. rel.int.
-  117.0574 22800000 30
-  119.08554 467400000 615
-  120.08899 46360000 61
-  126.01059 78280000 103
-  128.00761 25840000 34
-  131.04924 34960000 46
-  133.06484 24320000 32
-  145.06484 66880000 88
-  145.10112 158840000 209
-  147.08052 105640000 139
-  147.11681 193800000 255
-  154.01668 82840000 109
-  156.0137 26600000 35
-  160.0757 44840000 59
-  161.0835 23560000 31
-  167.07295 23560000 31
-  180.08083 22800000 30
-  194.09642 23560000 31
-  203.17944 106400000 140
-  272.05866 188480000 248
-  274.05579 59280000 78
-  300.08972 759240000 999
-  301.09335 130720000 172
-  302.08691 239400000 315
-  303.09042 41800000 55
-  315.11334 268280000 353
-  316.11688 47880000 63
-  317.11032 85880000 113
-  335.27335 262960000 346
-  336.27673 69920000 92
+  117.0574 28874010 30
+  119.08554 591917205 615
+  120.08899 58710487 61
+  126.01059 99134101 103
+  128.00761 32723878 34
+  131.04924 44273482 46
+  133.06484 30798944 32
+  145.06484 84697096 88
+  145.10112 201155603 209
+  147.08052 133782913 139
+  147.11681 245429085 255
+  154.01668 104908903 109
+  156.0137 33686345 35
+  160.0757 56785553 59
+  161.0835 29836477 31
+  167.07295 29836477 31
+  180.08083 28874010 30
+  194.09642 29836477 31
+  203.17944 134745380 140
+  272.05866 238691816 248
+  274.05579 75072426 78
+  300.08972 961504533 999
+  301.09335 165544324 172
+  302.08691 303177105 315
+  303.09042 52935685 55
+  315.11334 339750851 353
+  316.11688 60635421 63
+  317.11032 108758771 113
+  335.27335 333013582 346
+  336.27673 88546964 92
 //

NILU/MSBNK-NILU-NL0045.txt

@@ -21,17 +21,17 @@ MS$FOCUSED_ION: BASE_PEAK 149.02344
 PK$SPLASH: splash10-0002-0900000000-3cb2bfa02f05558f95f3
 PK$NUM_PEAK: 13
 PK$PEAK: m/z int. rel.int.
-  105.03365 435900 6
-  121.02855 726500 10
-  122.03618 363250 5
-  123.04401 435900 6
-  149.02344 72577350 999
-  150.02673 6393200 88
-  150.03107 508550 7
-  151.03012 145300 2
-  167.03389 871800 12
-  176.04677 217950 3
-  275.16437 435900 6
-  293.17484 2034200 28
-  294.1781 363250 5
+  105.03365 27767916 6
+  121.02855 46279860 10
+  122.03618 23139930 5
+  123.04401 27767916 6
+  149.02344 4623358014 999
+  150.02673 407262768 88
+  150.03107 32395902 7
+  151.03012 9255972 2
+  167.03389 55535832 12
+  176.04677 13883958 3
+  275.16437 27767916 6
+  293.17484 129583608 28
+  294.1781 23139930 5
 //