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Hi Vadim,
I ran a library-free search on diaPASEF data on my PC, but DIA-NN exits during precursor search, without writing any report. What might be causing this issue?
Thanks so much!
diann.exe --f "Z:\Projects\Internal\DIA\Data\200925_500ng_SY11_iRT_dia_Slot1-16_1_1055.d " --lib "" --threads 2 --verbose 5 --out "C:\DIA-NN\1.8\report.tsv" --qvalue 0.01 --matrices --out-lib "C:\DIA-NN\1.8\report-lib.tsv" --gen-spec-lib --predictor --fasta "P:\Others\db\2021-02-26-decoys-human_uniprot_contam-trembl-plus-swissprot.fasta.fas" --fasta-search --min-fr-mz 200 --max-fr-mz 1800 --met-excision --cut K*,R* --missed-cleavages 1 --min-pep-len 7 --max-pep-len 30 --min-pr-mz 300 --max-pr-mz 1800 --min-pr-charge 1 --max-pr-charge 4 --unimod4 --var-mods 1 --var-mod UniMod:35,15.994915,M --var-mod UniMod:1,42.010565,*n --monitor-mod UniMod:1 --smart-profiling --no-ifs-removal DIA-NN 1.8 (Data-Independent Acquisition by Neural Networks) Compiled on Jun 28 2021 14:55:31 Current date and time: Wed Aug 4 09:45:50 2021 CPU: GenuineIntel Intel(R) Core(TM) i5-8500 CPU @ 3.00GHz SIMD instructions: AVX AVX2 FMA SSE4.1 SSE4.2 Logical CPU cores: 6 Thread number set to 2 Output will be filtered at 0.01 FDR Precursor/protein x samples expression level matrices will be saved along with the main report A spectral library will be generated Deep learning will be used to generate a new in silico spectral library from peptides provided Library-free search enabled Min fragment m/z set to 200 Max fragment m/z set to 1800 N-terminal methionine excision enabled In silico digest will involve cuts at K*,R* Maximum number of missed cleavages set to 1 Min peptide length set to 7 Max peptide length set to 30 Min precursor m/z set to 300 Max precursor m/z set to 1800 Min precursor charge set to 1 Max precursor charge set to 4 Cysteine carbamidomethylation enabled as a fixed modification Maximum number of variable modifications set to 1 Modification UniMod:35 with mass delta 15.9949 at M will be considered as variable Modification UniMod:1 with mass delta 42.0106 at *n will be considered as variable When generating a spectral library, in silico predicted spectra will be retained if deemed more reliable than experimental ones Interference removal from fragment elution curves disabled DIA-NN will optimise the mass accuracy automatically using the first run in the experiment. This is useful primarily for quick initial analyses, when it is not yet known which mass accuracy setting works best for a particular acquisition scheme. Exclusion of fragments shared between heavy and light peptides from quantification is not supported in library-free mode - disabled The following variable modifications will be scored: UniMod:1 1 files will be processed [0:00] Loading FASTA P:\Others\db\2021-02-26-decoys-human_uniprot_contam-trembl-plus-swissprot.fasta.fas WARNING: 59 sequences skipped due to duplicate protein ids; use --duplicate-proteins to disable skipping duplicates [0:18] Processing FASTA [0:42] Assembling elution groups [1:16] 13429267 precursors generated [1:16] Protein names missing for some isoforms [1:16] Gene names missing for some isoforms [1:16] Library contains 80552 proteins, and 26079 genes [1:18] Encoding peptides for spectra and RTs prediction [1:57] Predicting spectra and IMs Predictions generated: 4864 9728 14592 19456 24320 29184 34048 38912 43776 48640 53504 58368 63232 68096 72960 77824 82688 87552 92416 97280 102144 107008 111872 116736 121600 126464 131328 136192 141056 145920 150784 155648 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11072970 11077834 11082698 11087562 11092426 11097290 11102154 11107018 11111882 11116746 11121610 11126474 11131338 11136202 11141066 11145930 11150794 11155658 11160522 11165386 11170250 11175114 11179978 11184842 11189706 11194570 11199434 11204298 11209162 11214026 11218890 11223754 11228618 11233482 11238346 11243210 11248074 11252938 11257802 11262666 11267530 11272394 11277258 11282122 11286986 11291850 11296714 11301578 11306442 11311306 11316170 11321034 11325898 11330762 11335626 11340490 11345354 11350218 11355082 11359946 11364810 11369674 11374538 11379402 11384266 11389130 11393994 11398858 11403722 11408586 11413450 11418314 11423178 11428042 11432906 11437770 11442634 11447498 11452362 11457226 11462090 11466954 11471818 11476682 11481546 11486410 11491274 11496138 11501002 11505866 11510730 11515594 11520458 11525322 11530186 11535050 11539914 11544778 11549642 11554506 11559370 11564234 11569098 11573962 11578826 11583690 11588554 11593418 11598282 11603146 11608010 11612874 11617738 11622602 11627466 11632330 11637194 11642058 11646922 11651786 11656650 11661514 11666378 11671242 11676106 11680970 11685834 11690698 11695562 11700426 11705290 11710154 11715018 11719882 11724746 11729610 11734474 11739338 11744202 11749066 11753930 11758794 11763658 11768522 11773386 11778250 11783114 11787978 11792842 11797706 11802570 11807434 11812298 11817162 11822026 11826890 11831754 11836618 11841482 11846346 11851210 11856074 11860938 11865829 11870693 11875557 11880421 11885285 11890149 11895013 11899877 11904741 11909605 11914469 11919333 11924197 11929061 11933925 11938789 11943653 11948517 11953381 11958245 11963109 11967973 11972837 11977701 11982565 11987429 11992293 11997157 12002021 12006885 12011749 12016613 12021477 12026341 12031205 12036069 12040933 12045797 12050661 12055525 12060389 12065253 12070117 12074981 12079845 12084709 12089573 12094437 12099301 12104165 12109029 12113893 12118757 12123621 12128485 12133349 12138213 12143077 12147941 12152805 12157669 12162533 12167397 12172261 12177125 12181989 12186853 12191717 12196581 12201445 12206309 12211173 12216037 12220901 12225765 12230629 12235493 12240357 12245221 12250085 12254949 12259813 12264677 12269541 12274405 12279269 12284133 12288997 12293861 12298725 12303589 12308453 12313317 12318181 12323045 12327909 12332773 12337637 12342501 12347365 12352229 12357093 12361957 12366821 12371685 12376549 12381413 12386277 12391141 12396005 12400869 12405733 12410597 12415461 12420325 12425189 12430053 12434917 12439781 12444645 12449509 12454373 12459237 12464101 12468965 12473829 12478693 12483557 12488421 12493285 12498149 12503013 12507877 12512741 12517605 12522469 12527333 12532197 12537061 12541925 12546789 12551653 12556517 12561381 12566245 12571109 12575973 12580837 12585701 12590565 12595429 12600293 12605157 12610021 12614885 12619749 12624613 12629477 12634341 12639205 12644069 12648933 12653797 12658661 12663525 12668389 12673253 12678117 12682981 12687845 12692709 12697573 12702437 12707385 12712249 12717113 12721977 12726841 12731705 12736569 12741433 12746297 12751161 12756025 12760889 12765753 12770617 12775481 12780345 12785209 12790073 12794937 12799801 12804665 12809529 12814393 12819257 12824121 12828985 12833849 12838713 12843577 12848441 12853305 12858169 12863033 12867897 12872761 12877625 12882489 12887353 12892217 12897081 12901945 12906809 12911673 12916537 12921401 12926265 12931129 12935993 12940857 12945721 12950585 12955449 12960313 12965177 12970041 12974905 12979769 12984633 12989497 12994361 12999225 13004089 13008953 13013817 13018681 13023545 13028409 13033273 13038137 13043001 13047865 13052729 13057593 13062457 13067321 13072185 13077049 13081913 13086777 13091641 13096505 13101369 13106233 13111097 13115961 13120825 13125689 13130553 13135417 13140281 13145145 13150009 13154873 13159737 13164601 13169465 13174329 13179193 13184057 13188921 13193785 13198649 13203513 13208377 13213241 13218105 13222969 13227833 13232697 13237561 13242425 13247289 13252153 13257017 13261881 13266745 13271609 13276473 13281337 13286201 13291065 13295929 13300793 13305657 13310521 13315385 13320249 13325113 13329977 13334841 13339705 13344569 13349433 13354297 13359161 13364025 13368889 13373753 13378617 13383481 13388345 13393209 13398073 13402937 13407801 13412665 13417529 13422393 13427257 [254:44] Predicting RTs Predictions generated: 4864 9728 14592 19456 24320 29184 34048 38912 43776 48640 53504 58368 63232 68096 72960 78063 82927 87791 92655 97519 102383 107247 112111 116975 121839 126703 131567 136431 141295 146159 151023 156045 160909 165773 170637 175501 180365 185229 190093 194957 199821 204685 209549 214413 219277 224141 229005 233869 238956 243820 248684 253548 258412 263276 268140 273004 277868 282732 287596 292460 297324 302188 307052 311916 316780 321644 326508 331392 336256 341120 345984 350848 355712 360576 365440 370304 375168 380032 384896 389760 394624 399488 404352 409216 414080 418944 423808 428817 433681 438545 443409 448273 453137 458001 462865 467729 472593 477457 482321 487185 492049 496913 501777 506641 511505 516369 521233 526097 530965 535829 540693 545557 550421 555285 560149 565013 569877 574741 579605 584469 589333 594197 599061 603925 608789 613653 618517 623381 628245 633109 637973 642851 647715 652579 657443 662307 667171 672035 676899 681763 686627 691491 696355 701219 706083 710947 715811 720675 725539 730403 735267 740131 744995 749859 754723 759788 764652 769516 774380 779244 784108 788972 793836 798700 803564 808428 813292 818156 823020 827884 832748 837612 842476 847340 852204 857068 861932 866796 871660 876524 881452 886316 891180 896044 900908 905772 910636 915500 920364 925228 930092 934956 939820 944684 949548 954412 959276 964140 969004 973868 978732 983596 988460 993324 998188 1003052 1007916 1012970 1017834 1022698 1027562 1032426 1037290 1042154 1047018 1051882 1056746 1061610 1066474 1071338 1076202 1081066 1085930 1090794 1095658 1100522 1105386 1110250 1115114 1119978 1124842 1129706 1134570 1139434 1144298 1149162 1154056 1158920 1163784 1168648 1173512 1178376 1183240 1188104 1192968 1197832 1202696 1207560 1212424 1217288 1222152 1227016 1231880 1236744 1241608 1246472 1251336 1256200 1261064 1265928 1270792 1275656 1280520 1285384 1290248 1295112 1299976 1304840 1309738 1314602 1319466 1324330 1329194 1334058 1338922 1343786 1348650 1353514 1358378 1363242 1368106 1372970 1377834 1382698 1387562 1392426 1397290 1402154 1407018 1411882 1416746 1421610 1426474 1431338 1436202 1441066 1445930 1450794 1455658 1460522 1465386 1470464 1475328 1480192 1485056 1489920 1494784 1499648 1504512 1509376 1514240 1519104 1523968 1528832 1533696 1538560 1543424 1548288 1553152 1558016 1562880 1567744 1572608 1577472 1582336 1587200 1592064 1596928 1601792 1606656 1611520 1616384 1621248 1626112 1630976 1635840 1640903 1645767 1650631 1655495 1660359 1665223 1670087 1674951 1679815 1684679 1689543 1694407 1699271 1704135 1708999 1713863 1718727 1723591 1728455 1733319 1738183 1743047 1747911 1752775 1757639 1762503 1767367 1772231 1777095 1781959 1786823 1791687 1796551 1801415 1806279 1811143 1816007 1820871 1825860 1830724 1835588 1840452 1845316 1850180 1855044 1859908 1864772 1869636 1874500 1879364 1884228 1889092 1893956 1898820 1903684 1908548 1913412 1918276 1923140 1928004 1932868 1937732 1942596 1947460 1952324 1957188 1962052 1966916 1971780 1976644 1981508 1986372 1991236 1996100 2000964 2005828 2010692 2015556 2020420 2025433 2030297 2035161 2040025 2044889 2049753 2054617 2059481 2064345 2069209 2074073 2078937 2083801 2088665 2093529 2098393 2103257 2108121 2112985 2117849 2122713 2127577 2132441 2137305 2142169 2147033 2151897 2156761 2161625 2166489 2171353 2176217 2181081 2185945 2190809 2195673 2200537 2205401 2210265 2215129 2219993 2224857 2229721 2234585 2239569 2244433 2249297 2254161 2259025 2263889 2268753 2273617 2278481 2283345 2288209 2293073 2297937 2302801 2307665 2312529 2317393 2322257 2327121 2331985 2336849 2341713 2346577 2351441 2356305 2361169 2366033 2370897 2375761 2380625 2385489 2390353 2395217 2400081 2404945 2409809 2414673 2419537 2424401 2429265 2434129 2438993 2443857 2448721 2453585 2458449 2463313 2468306 2473170 2478034 2482898 2487762 2492626 2497490 2502354 2507218 2512082 2516946 2521810 2526674 2531538 2536402 2541266 2546130 2550994 2555858 2560722 2565586 2570450 2575314 2580178 2585042 2589906 2594770 2599634 2604498 2609362 2614226 2619090 2623954 2628818 2633682 2638546 2643410 2648274 2653138 2658002 2662866 2667730 2672594 2677458 2682322 2687186 2692050 2696914 2701778 2706642 2711559 2716423 2721287 2726151 2731015 2735879 2740743 2745607 2750471 2755335 2760199 2765063 2769927 2774791 2779655 2784519 2789383 2794247 2799111 2803975 2808839 2813703 2818567 2823431 2828295 2833159 2838023 2842887 2847751 2852615 2857479 2862343 2867207 2872071 2876935 2881799 2886663 2891527 2896391 2901255 2906119 2910983 2915847 2920711 2925575 2930439 2935303 2940167 2945031 2949895 2954759 2959623 2964487 2969362 2974226 2979090 2983954 2988818 2993682 2998546 3003410 3008274 3013138 3018002 3022866 3027730 3032594 3037458 3042322 3047186 3052050 3056914 3061778 3066642 3071506 3076370 3081234 3086098 3090962 3095826 3100690 3105554 3110418 3115282 3120146 3125010 3129874 3134738 3139602 3144466 3149330 3154194 3159058 3163922 3168786 3173650 3178514 3183378 3188242 3193106 3197970 3202834 3207698 3212562 3217426 3222290 3227154 3232018 3236882 3241746 3246835 3251699 3256563 3261427 3266291 3271155 3276019 3280883 3285747 3290611 3295475 3300339 3305203 3310067 3314931 3319795 3324659 3329523 3334387 3339251 3344115 3348979 3353843 3358707 3363571 3368435 3373299 3378163 3383027 3387891 3392755 3397619 3402483 3407347 3412211 3417075 3421939 3426803 3431667 3436531 3441395 3446259 3451123 3455987 3460851 3465715 3470579 3475443 3480307 3485171 3490035 3494899 3499763 3504627 3509491 3514355 3519219 3524083 3528947 3533811 3538675 3543539 3548497 3553361 3558225 3563089 3567953 3572817 3577681 3582545 3587409 3592273 3597137 3602001 3606865 3611729 3616593 3621457 3626321 3631185 3636049 3640913 3645777 3650641 3655505 3660369 3665233 3670097 3674961 3679825 3684689 3689553 3694417 3699281 3704145 3709009 3713873 3718737 3723601 3728465 3733329 3738193 3743057 3747921 3752785 3757649 3762513 3767377 3772241 3777105 3781969 3786833 3791697 3796561 3801425 3806289 3811153 3816017 3820881 3825745 3830609 3835473 3840337 3845201 3850065 3855142 3860006 3864870 3869734 3874598 3879462 3884326 3889190 3894054 3898918 3903782 3908646 3913510 3918374 3923238 3928102 3932966 3937830 3942694 3947558 3952422 3957286 3962150 3967014 3971878 3976742 3981606 3986470 3991334 3996198 4001062 4005926 4010790 4015654 4020518 4025382 4030246 4035110 4039974 4044838 4049702 4054566 4059430 4064294 4069158 4074022 4078886 4083750 4088614 4093478 4098342 4103206 4108070 4112934 4117798 4122662 4127526 4132390 4137254 4142118 4146982 4151846 4156710 4161574 4166438 4171302 4176166 [300:53] Decoding predicted spectra and IMs [303:22] Decoding RTs [304:06] Saving the library to C:\DIA-NN\1.8\report-lib.predicted.speclib [305:42] Initialising library [305:49] File #1/1 [305:49] Loading run Z:\Projects\Internal\DIA\Data\200925_500ng_SY11_iRT_dia_Slot1-16_1_1055.d For most diaPASEF datasets it is better to manually fix both the MS1 and MS2 mass accuracies to 10 ppm. [456:23] Detected MS/MS range: 94.9951 - 1704.99 [456:57] Run loaded [457:39] 9492840 library precursors are potentially detectable [457:40] Processing batch #1 out of 4746 [457:40] Precursor search [458:53] Optimising weights Ids at 10% FDR using TC scoring: 20 Ids at 10% FDR using TC selection: 20 Averages: 0.0190895 0.00275754 0 0.0365746 -0.00273564 0.00549333 Weights: 4.45087 0 0 0 0.0499016 0 [458:54] Calculating q-values [458:54] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 94, 23, 0, 0 [458:54] Calibrating retention times [458:54] 50 precursors used for iRT estimation. [458:54] Processing batch #2 out of 4746 [458:54] Precursor search [459:09] Optimising weights Ids at 10% FDR using TC scoring: 28 Ids at 10% FDR using TC selection: 28 Averages: 0.0071958 0.00246774 0 0.00777897 0.0449806 0.0533402 Weights: 3.24849 1.18638 0 0 0.608905 0.18723 [459:09] Calculating q-values [459:09] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 192, 34, 0, 0 [459:09] Calibrating retention times [459:09] 50 precursors used for iRT estimation. [459:09] Processing batch #3 out of 4746 [459:09] Precursor search [459:25] Optimising weights Ids at 10% FDR using TC scoring: 40 Ids at 10% FDR using TC selection: 40 Averages: 0.0151037 -0.00821106 0 -0.00300138 0.0831956 0.110026 Weights: 1.01244 2.31135 0 0 0.782526 0.882325 [459:25] Calculating q-values [459:25] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 224, 66, 0, 0 [459:25] Calibrating retention times [459:25] 50 precursors used for iRT estimation. [459:25] Processing batch #4 out of 4746 [459:25] Precursor search [459:40] Optimising weights Ids at 10% FDR using TC scoring: 49 Ids at 10% FDR using TC selection: 49 Averages: 0.0135639 -0.0128547 0 -0.0193773 0.0460159 0.12249 Weights: 2.22504 1.91324 0 0 0.795491 0.743059 [459:40] Calculating q-values [459:41] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 302, 69, 0, 0 [459:41] Calibrating retention times [459:41] 50 precursors used for iRT estimation. [459:41] Processing batch #5 out of 4746 [459:41] Precursor search [459:55] Optimising weights Ids at 10% FDR using TC scoring: 66 Ids at 10% FDR using TC selection: 66 Averages: 0.0114532 -0.00762733 0 -0.0111578 0.0412745 0.0781069 Weights: 2.52962 1.82749 0 0 0.723378 0.613393 [459:56] Calculating q-values [459:56] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 354, 76, 0, 0 [459:56] Calibrating retention times [459:56] 50 precursors used for iRT estimation. [459:56] Processing batches #6-7 out of 4746 [459:56] Precursor search [460:25] Optimising weights Ids at 10% FDR using TC scoring: 87 Ids at 10% FDR using TC selection: 87 Averages: 0.039416 0.0670952 0 0.0236083 -0.0595482 0.0492513 Weights: 5.05296 2.39614 0 0 1.59771 2.30334 [460:25] Calculating q-values [460:26] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 395, 101, 0, 0 [460:26] Calibrating retention times [460:26] 50 precursors used for iRT estimation. [460:26] Precursor search [460:27] Optimising weights Ids at 10% FDR using TC scoring: 87 Ids at 10% FDR using TC selection: 87 Averages: 0.039416 0.0670952 0 0.0236083 -0.0595482 0.0492513 Weights: 5.05296 2.39614 0 0 1.59771 2.30334 [460:27] Calculating q-values [460:27] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 395, 101, 0, 0 [460:27] Calibrating retention times [460:27] 50 precursors used for iRT estimation. [460:27] Mass correction transform (101 precursors): -4.75335e-09 -0.00289121 4.81776e-06 [460:27] M/z SD: 2.58963 ppm [460:27] Top 70% mass accuracy: 3.13455 ppm [460:27] Top 70% mass accuracy without correction: 4.40794ppm [460:27] MS1 mass correction transform (97 precursors): -2.76198e-08 -0.0121469 3.70888e-05 [460:28] Top 70% MS1 mass accuracy: 3.81443 ppm [460:28] Top 70% MS1 mass accuracy without correction: 3.71194ppm [460:28] No MS1 mass correction required [460:28] Recalibrating with mass accuracy 1.56727e-05, 1.85597e-05 (MS2, MS1) [460:28] Processing batch #1 out of 4746 [460:28] Precursor search [460:42] Optimising weights Ids at 10% FDR using TC scoring: 27 Ids at 10% FDR using TC selection: 27 Averages: 0.028687 0.0264129 0 0.0542982 0.0575501 -0.00518545 Weights: 2.40785 0.0491556 0 2.39673 0.478376 0.239331 [460:42] Calculating q-values [460:42] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 105, 22, 0, 0 [460:42] Calculating q-values [460:42] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 67, 29, 0, 0 [460:42] Calibrating retention times [460:42] 50 precursors used for iRT estimation. [460:42] Processing batch #2 out of 4746 [460:42] Precursor search [460:57] Optimising weights Ids at 10% FDR using TC scoring: 39 Ids at 10% FDR using TC selection: 39 Averages: 0.0209893 0.0110028 0 0.0294945 0.0533885 0.0205418 Weights: 4.28648 0 0 0 0.637213 0.264779 [460:57] Calculating q-values [460:57] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 178, 33, 0, 0 [460:57] Calculating q-values [460:57] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 132, 41, 0, 0 [460:57] Calibrating retention times [460:57] 50 precursors used for iRT estimation. [460:57] Processing batch #3 out of 4746 [460:57] Precursor search [461:11] Optimising weights Ids at 10% FDR using TC scoring: 56 Ids at 10% FDR using TC selection: 56 Averages: 0.0292504 0.0269557 0 0.0439746 0.0975662 -0.00172421 Weights: 4.68225 0 0 0 0.690067 0.449768 [461:11] Calculating q-values [461:11] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 217, 50, 0, 0 [461:11] Calculating q-values [461:11] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 149, 59, 0, 0 [461:11] Calibrating retention times [461:11] 50 precursors used for iRT estimation. [461:11] Processing batch #4 out of 4746 [461:11] Precursor search [461:26] Optimising weights Ids at 10% FDR using TC scoring: 57 Ids at 10% FDR using TC selection: 57 Averages: 0.0223177 0.0231409 0 0.0325267 0.0861532 0.0450192 Weights: 4.49626 0 0 0 0.79573 0.4437 [461:26] Calculating q-values [461:26] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 272, 59, 0, 0 [461:26] Calibrating retention times [461:26] 50 precursors used for iRT estimation. [461:26] Processing batch #5 out of 4746 [461:26] Precursor search [461:40] Optimising weights Ids at 10% FDR using TC scoring: 76 Ids at 10% FDR using TC selection: 76 Averages: 0.00678655 0.0125111 0 0.0274749 0.0998618 0.0335968 Weights: 4.41466 0 0 0.122609 0.911763 0.500692 [461:40] Calculating q-values [461:40] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 335, 79, 0, 0 [461:40] Calibrating retention times [461:41] 50 precursors used for iRT estimation. [461:41] Processing batches #6-7 out of 4746 [461:41] Precursor search [462:09] Optimising weights Ids at 10% FDR using TC scoring: 100 Ids at 10% FDR using TC selection: 100 Averages: 0.00901306 0.00711245 0 0.0532466 0.12547 -0.0819737 Weights: 7.39327 0 0 0.731647 1.40152 0.890521 [462:09] Calculating q-values [462:09] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 434, 115, 100, 0 [462:09] Calibrating retention times [462:09] 100 precursors used for iRT estimation. [462:09] Processing batches #8-9 out of 4746 [462:09] Precursor search [462:40] Optimising weights Ids at 10% FDR using TC scoring: 112 Ids at 10% FDR using TC selection: 112 Averages: 0.00448272 0.01582 0 0.0755015 0.275135 -0.15205 Weights: 6.96316 0 0 1.8024 1.98107 0.896176 [462:40] Calculating q-values [462:40] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 484, 127, 121, 0 [462:40] Calibrating retention times [462:40] 121 precursors used for iRT estimation. [462:40] Processing batches #10-11 out of 4746 [462:40] Precursor search [463:09] Optimising weights Ids at 10% FDR using TC scoring: 135 Ids at 10% FDR using TC selection: 135 Averages: 0.0455 0.0639699 0 0.100412 0.167095 -0.0714895 Weights: 8.24828 0 0 0.485246 1.46851 0 [463:09] Calculating q-values [463:09] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 529, 149, 111, 0 [463:09] Calibrating retention times [463:09] 111 precursors used for iRT estimation. [463:09] Processing batches #12-14 out of 4746 [463:09] Precursor search [463:54] Optimising weights Ids at 10% FDR using TC scoring: 145 Ids at 10% FDR using TC selection: 146 Averages: 0.0393279 0.0592545 0 0.0951031 0.21247 -0.0682044 Weights: 8.09972 0 0 0 1.46117 0.116964 [463:54] Calculating q-values [463:55] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 666, 181, 137, 0 [463:55] Calibrating retention times [463:55] 137 precursors used for iRT estimation. [463:55] Processing batches #15-17 out of 4746 [463:55] Precursor search [464:38] Optimising weights Ids at 10% FDR using TC scoring: 175 Ids at 10% FDR using TC selection: 175 Averages: 0.0305042 0.0632089 0 0.0731187 0.275143 -0.128418 Weights: 6.85492 0 0 0.893681 1.88762 0.480204 [464:38] Calculating q-values [464:39] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 773, 213, 149, 0 [464:39] Calibrating retention times [464:39] 149 precursors used for iRT estimation. [464:39] Processing batches #18-21 out of 4746 [464:39] Precursor search [465:37] Optimising weights Ids at 10% FDR using TC scoring: 202 Ids at 10% FDR using TC selection: 204 Averages: 0.0333563 0.0531681 0 0.0693981 0.30036 -0.0542401 Weights: 6.68392 0 0 0.44032 1.90129 0.636826 [465:37] Calculating q-values [465:37] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 933, 252, 190, 0 [465:37] Calibrating retention times [465:37] 190 precursors used for iRT estimation. [465:37] Processing batches #22-26 out of 4746 [465:37] Precursor search [466:50] Optimising weights Ids at 10% FDR using TC scoring: 243 Ids at 10% FDR using TC selection: 245 Averages: 0.0312668 0.0542358 0 0.0766824 0.302788 -0.0289384 Weights: 6.77938 0.233125 0 0.800034 1.7244 0.442371 [466:50] Calculating q-values [466:50] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 1150, 314, 239, 0 [466:50] Calibrating retention times [466:50] 239 precursors used for iRT estimation. [466:50] Processing batches #27-32 out of 4746 [466:50] Precursor search [468:17] Optimising weights Ids at 10% FDR using TC scoring: 283 Ids at 10% FDR using TC selection: 286 Averages: 0.0250103 0.0444676 0 0.0692683 0.239745 -0.00969193 Weights: 7.28732 0 0 0.675509 1.63957 0.400224 [468:17] Calculating q-values [468:17] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 1350, 362, 307, 0 [468:17] Calibrating retention times [468:17] 307 precursors used for iRT estimation. [468:17] Processing batches #33-39 out of 4746 [468:17] Precursor search [469:57] Optimising weights Ids at 10% FDR using TC scoring: 341 Ids at 10% FDR using TC selection: 344 Averages: 0.023692 0.0549725 0 0.0733747 0.195156 -0.0196178 Weights: 7.36436 0 0 0.664587 1.56335 0.108947 [469:57] Calculating q-values [469:58] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 1547, 445, 346, 0 [469:58] Calibrating retention times [469:58] 346 precursors used for iRT estimation. [469:58] Processing batches #40-47 out of 4746 [469:58] Precursor search [471:53] Optimising weights Ids at 10% FDR using TC scoring: 422 Ids at 10% FDR using TC selection: 425 Averages: 0.0150012 0.0432812 0 0.0578919 0.189606 -0.0379369 Weights: 6.98204 0 0 1.06603 1.58868 0.0847524 [471:53] Calculating q-values [471:53] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 1981, 545, 406, 0 [471:53] Calibrating retention times [471:53] 406 precursors used for iRT estimation. [471:53] Processing batches #48-57 out of 4746 [471:53] Precursor search [474:18] Optimising weights Ids at 10% FDR using TC scoring: 513 Ids at 10% FDR using TC selection: 517 Averages: 0.0158824 0.0482533 0 0.0542758 0.202805 -0.0411632 Weights: 6.82677 0.0724902 0 0.951906 1.62522 0 [474:18] Calculating q-values [474:18] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 2424, 659, 505, 0 [474:18] Calibrating retention times [474:19] 505 precursors used for iRT estimation. [474:19] Processing batches #58-69 out of 4746 [474:19] Precursor search [477:12] Optimising weights Ids at 10% FDR using TC scoring: 632 Ids at 10% FDR using TC selection: 636 Averages: 0.0179367 0.0428632 0 0.0590435 0.165858 -0.0363634 Weights: 6.82264 0 0 0.926555 1.63606 0.148073 [477:12] Calculating q-values [477:12] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 2919, 809, 616, 0 [477:12] Calibrating retention times [477:12] 616 precursors used for iRT estimation. [477:12] Processing batches #70-83 out of 4746 [477:12] Precursor search [480:34] Optimising weights Ids at 10% FDR using TC scoring: 759 Ids at 10% FDR using TC selection: 765 Averages: 0.0156991 0.0313715 0 0.0529888 0.153785 -0.0134667 Weights: 7.25689 0 0 0.774692 1.64508 0.101796 [480:34] Calculating q-values [480:34] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 3455, 977, 722, 0 [480:34] Calibrating retention times [480:34] 722 precursors used for iRT estimation. [480:34] Processing batches #84-100 out of 4746 [480:34] Precursor search [484:46] Optimising weights Ids at 10% FDR using TC scoring: 918 Ids at 10% FDR using TC selection: 926 Averages: 0.0208341 0.0244133 0 0.0529257 0.0998986 -0.0036643 Weights: 7.59889 0 0 0.0140577 1.51255 0.0670378 [484:46] Calculating q-values [484:47] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 4228, 1192, 857, 0 [484:47] Calibrating retention times [484:47] 857 precursors used for iRT estimation. [484:47] Precursor search [485:05] Optimising weights Ids at 10% FDR using TC scoring: 925 Ids at 10% FDR using TC selection: 926 Averages: 0.0216576 0.0232734 0 0.0508888 0.10245 0.00613262 Weights: 7.62191 0 0 0 1.51285 0.0242904 [485:05] Calculating q-values [485:06] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 4226, 1196, 850, 0 [485:06] Precursor search [485:06] Optimising weights Ids at 10% FDR using TC scoring: 925 Ids at 10% FDR using TC selection: 926 Averages: 0.0216576 0.0232734 0 0.0508888 0.10245 0.00613262 Weights: 7.62187 0 0 0 1.51282 0.0245356 [485:06] Calculating q-values [485:06] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 4226, 1196, 850, 0 [485:06] Precursor search [485:24] Optimising weights Ids at 10% FDR using TC scoring: 925 Ids at 10% FDR using TC selection: 926 Averages: 0.0216576 0.0232734 0 0.0508888 0.10245 0.00613262 Weights: 7.62187 0 0 0 1.51282 0.0245356 [485:24] Calculating q-values [485:24] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 4226, 1196, 850, 0 [485:24] Calibrating retention times [485:25] 850 precursors used for iRT estimation. [485:25] RT window set to 7.93247 [485:25] Ion mobility window set to 0.0792919 [485:25] Peak width: 4.012 [485:25] Scan window radius set to 8 [485:25] Mass correction transform (1183 precursors): 1.90364e-09 0.00121326 -6.33956e-06 [485:25] M/z SD: 2.61907 ppm [485:25] Top 70% mass accuracy: 3.60702 ppm [485:25] Top 70% mass accuracy without correction: 5.21441ppm [485:25] MS1 mass correction transform (1026 precursors): -1.52021e-08 -0.00807683 2.21714e-05 [485:25] Top 70% MS1 mass accuracy: 3.1497 ppm [485:25] Top 70% MS1 mass accuracy without correction: 3.48068ppm [485:25] Refining mass correction [485:25] Calibrating retention times [485:25] Mass correction transform (828 precursors): 2.35528e-09 0.00149256 -7.12501e-06 [485:25] M/z SD: 2.62211 ppm [485:25] Top 70% mass accuracy: 3.62122 ppm [485:25] Top 70% mass accuracy without correction: 5.21441ppm [485:25] MS1 mass correction transform (718 precursors): -1.85413e-08 -0.0100241 2.73868e-05 [485:25] Top 70% MS1 mass accuracy: 3.10973 ppm [485:25] Top 70% MS1 mass accuracy without correction: 3.48068ppm [485:25] Recommended MS1 mass accuracy setting: 15.5487 ppm [485:25] Processing batch #1 out of 4746 [485:25] Precursor search [485:28] Optimising weights Ids at 10% FDR using TC scoring: 17 Ids at 10% FDR using TC selection: 17 Averages: 0.0160958 0.00515545 0 0.0218525 0.00730383 0.036748 Weights: 3.41969 0 0 3.68907 0 0.367894 [485:28] Calculating q-values [485:28] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 82, 26, 0, 0 [485:28] Calibrating retention times [485:29] 50 precursors used for iRT estimation. [485:29] Processing batch #2 out of 4746 [485:29] Precursor search [485:31] Optimising weights Ids at 10% FDR using TC scoring: 28 Ids at 10% FDR using TC selection: 28 Averages: 0.0291258 0.0211087 0 0.0257789 0.0365326 0.0203209 Weights: 4.52669 0 0 2.66815 0.0144444 0.2617 [485:32] Calculating q-values [485:32] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 241, 46, 0, 0 [485:32] Calibrating retention times [485:32] 50 precursors used for iRT estimation. [485:32] Processing batch #3 out of 4746 [485:32] Precursor search [485:34] Optimising weights Ids at 10% FDR using TC scoring: 46 Ids at 10% FDR using TC selection: 46 Averages: 0.028091 0.0201003 0 0.023734 0.039611 0.0257449 Weights: 4.30772 0 0 1.94815 0.429982 0.154527 [485:35] Calculating q-values [485:35] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 158, 49, 0, 0 [485:35] Calibrating retention times [485:35] 50 precursors used for iRT estimation. [485:35] Processing batch #4 out of 4746 [485:35] Precursor search [485:38] Optimising weights Ids at 10% FDR using TC scoring: 58 Ids at 10% FDR using TC selection: 58 Averages: 0.0288271 0.0202306 0 0.0234771 0.052096 0.0181343 Weights: 4.48692 0 0 2.05764 0.406647 0 [485:38] Calculating q-values [485:38] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 208, 61, 0, 0 [485:38] Calibrating retention times [485:38] 50 precursors used for iRT estimation. [485:38] Processing batch #5 out of 4746 [485:38] Precursor search [485:41] Optimising weights Ids at 10% FDR using TC scoring: 57 Ids at 10% FDR using TC selection: 57 Averages: 0.0317498 0.0288413 0 0.0176853 0.0363394 0.0303869 Weights: 3.44096 0 0 1.63553 0.598393 0.258573 [485:41] Calculating q-values [485:41] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 184, 70, 0, 0 [485:41] Calibrating retention times [485:41] 50 precursors used for iRT estimation. [485:41] Processing batches #6-7 out of 4746 [485:41] Precursor search [485:47] Optimising weights Ids at 10% FDR using TC scoring: 112 Ids at 10% FDR using TC selection: 113 Averages: 0.0389143 0.0280763 0 0.0222136 0.0605054 0.00312233 Weights: 3.31685 0 0 1.90624 0.651765 0.388403 [485:47] Calculating q-values [485:47] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 298, 99, 0, 0 [485:47] Calculating q-values [485:47] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 271, 115, 0, 0 [485:47] Calibrating retention times [485:47] 50 precursors used for iRT estimation. [485:47] Processing batches #8-9 out of 4746 [485:47] Precursor search [485:52] Optimising weights Ids at 10% FDR using TC scoring: 141 Ids at 10% FDR using TC selection: 142 Averages: 0.0354124 0.037636 0 0.0493573 0.00227625 -0.05812 Weights: 5.56021 0 0 2.25296 1.35097 0.561009 [485:52] Calculating q-values [485:52] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 415, 136, 114, 0 [485:52] Calculating q-values [485:52] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 352, 147, 120, 0 [485:52] Calibrating retention times [485:52] 120 precursors used for iRT estimation. [485:52] Processing batches #10-11 out of 4746 [485:52] Precursor search [485:57] Optimising weights Ids at 10% FDR using TC scoring: 154 Ids at 10% FDR using TC selection: 154 Averages: 0.090386 0.0953481 0 0.11426 0.129291 -0.0125102 Weights: 5.60898 0 0 2.17848 1.35771 0.83323 [485:58] Calculating q-values [485:58] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 448, 147, 0, 0 [485:58] Calculating q-values [485:58] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 374, 155, 113, 0 [485:58] Calibrating retention times [485:58] 113 precursors used for iRT estimation. [485:58] Processing batches #12-14 out of 4746 [485:58] Precursor search [486:05] Optimising weights Ids at 10% FDR using TC scoring: 164 Ids at 10% FDR using TC selection: 164 Averages: 0.0805767 0.0774146 0 0.0987353 0.107873 0.017168 Weights: 5.77192 0 0 1.37869 1.50215 0.573245 [486:05] Calculating q-values [486:05] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 527, 164, 111, 0 [486:05] Calibrating retention times [486:06] 111 precursors used for iRT estimation. [486:06] Processing batches #15-17 out of 4746 [486:06] Precursor search [486:13] Optimising weights Ids at 10% FDR using TC scoring: 197 Ids at 10% FDR using TC selection: 199 Averages: 0.10381 0.099268 0 0.128724 0.186313 -0.0735912 Weights: 5.93232 0 0 0.797376 1.67244 0.663436 [486:13] Calculating q-values [486:13] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 605, 189, 127, 0 [486:13] Calculating q-values [486:13] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 561, 211, 128, 0 [486:13] Calibrating retention times [486:13] 128 precursors used for iRT estimation. [486:13] Processing batches #18-21 out of 4746 [486:13] Precursor search [486:23] Optimising weights Ids at 10% FDR using TC scoring: 241 Ids at 10% FDR using TC selection: 244 Averages: 0.102375 0.112919 0 0.133179 0.195958 -0.0496137 Weights: 5.63236 0 0 1.04537 1.70742 0.512089 [486:23] Calculating q-values [486:23] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 832, 233, 162, 0 [486:23] Calculating q-values [486:23] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 704, 263, 159, 0 [486:23] Calibrating retention times [486:23] 159 precursors used for iRT estimation. [486:23] Processing batches #22-26 out of 4746 [486:23] Precursor search WARNING: DIA-NN might run out of memory; if this happens, consider adjusting the 'Speed and RAM usage' option [486:35] Optimising weights Ids at 10% FDR using TC scoring: 277 Ids at 10% FDR using TC selection: 277 Averages: 0.105523 0.104836 0 0.119524 0.206977 0.0275806 Weights: 5.00612 0 0 0.882008 1.91855 0.529262 [486:35] Calculating q-values [486:35] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 952, 268, 183, 0 [486:35] Calculating q-values [486:35] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 864, 292, 176, 0 [486:35] Calibrating retention times [486:35] 176 precursors used for iRT estimation. [486:35] Processing batches #27-32 out of 4746 [486:35] Precursor search [486:50] Optimising weights Ids at 10% FDR using TC scoring: 323 Ids at 10% FDR using TC selection: 325 Averages: 0.0838432 0.0765757 0 0.0838969 0.145555 -0.00500163 Weights: 6.16779 0 0 0 1.69583 0.404274 [486:50] Calculating q-values [486:50] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 1145, 322, 224, 0 [486:50] Calculating q-values [486:50] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 977, 329, 202, 0 [486:50] Calibrating retention times [486:50] 202 precursors used for iRT estimation. [486:50] Processing batches #33-39 out of 4746 [486:50] Precursor search [487:07] Optimising weights Ids at 10% FDR using TC scoring: 365 Ids at 10% FDR using TC selection: 368 Averages: 0.0844405 0.081116 0 0.0919018 0.195166 0.0191666 Weights: 5.79888 0 0 0 1.84412 0.476343 [487:07] Calculating q-values [487:07] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 1397, 366, 248, 0 [487:07] Calibrating retention times [487:07] 248 precursors used for iRT estimation. [487:07] Processing batches #40-47 out of 4746 [487:07] Precursor search [487:26] Optimising weights Ids at 10% FDR using TC scoring: 474 Ids at 10% FDR using TC selection: 477 Averages: 0.0828624 0.0847652 0 0.0950665 0.195015 -0.0427715 Weights: 6.26326 0 0 0 1.73253 0.405071 [487:26] Calculating q-values [487:27] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 1734, 471, 318, 0 [487:27] Calculating q-values [487:27] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 1499, 489, 287, 0 [487:27] Calibrating retention times [487:27] 287 precursors used for iRT estimation. [487:27] Processing batches #48-57 out of 4746 [487:27] Precursor search [487:51] Optimising weights Ids at 10% FDR using TC scoring: 594 Ids at 10% FDR using TC selection: 596 Averages: 0.0839016 0.0730262 0 0.091226 0.200633 -0.0137308 Weights: 6.45387 0 0 0 1.66342 0.226467 [487:51] Calculating q-values [487:52] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 2040, 588, 403, 0 [487:52] Calculating q-values [487:52] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 1863, 604, 357, 0 [487:52] Calibrating retention times [487:52] 357 precursors used for iRT estimation. [487:52] Processing batches #58-69 out of 4746 [487:52] Precursor search [488:21] Optimising weights Ids at 10% FDR using TC scoring: 731 Ids at 10% FDR using TC selection: 733 Averages: 0.0738589 0.0641022 0 0.0823935 0.172658 -0.00335711 Weights: 6.69887 0 0 0 1.54669 0.150504 [488:21] Calculating q-values [488:21] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 2580, 733, 464, 0 [488:21] Calibrating retention times [488:22] 464 precursors used for iRT estimation. [488:22] Processing batches #70-83 out of 4746 [488:22] Precursor search [488:56] Optimising weights Ids at 10% FDR using TC scoring: 871 Ids at 10% FDR using TC selection: 877 Averages: 0.0774063 0.0614961 0 0.0887996 0.171767 0.0186331 Weights: 6.46852 0 0 0.153444 1.56406 0.234694 [488:56] Calculating q-values [488:56] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 3068, 855, 590, 0 [488:56] Calculating q-values [488:56] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 2771, 882, 563, 0 [488:56] Calibrating retention times [488:56] 563 precursors used for iRT estimation. [488:56] Processing batches #84-100 out of 4746 [488:56] Precursor search [489:37] Optimising weights Ids at 10% FDR using TC scoring: 1067 Ids at 10% FDR using TC selection: 1070 Averages: 0.0664321 0.0564265 0 0.0759211 0.165307 0.0215672 Weights: 5.61994 0 0 0.992868 1.51966 0.325525 [489:37] Calculating q-values [489:37] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 3707, 1052, 735, 0 [489:37] Calculating q-values [489:37] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 3428, 1082, 639, 0 [489:37] Calibrating retention times [489:37] 639 precursors used for iRT estimation. [489:37] Precursor search [489:38] Optimising weights Ids at 10% FDR using TC scoring: 1068 Ids at 10% FDR using TC selection: 1071 Averages: 0.0660245 0.0520395 0 0.071791 0.168569 0.0373844 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0597938 0.062316 |***| 0.655996 0.0934199 0.764265 0.117666 0.0772791 0.38354 0.0268837 0 0.0444219 0.0273217 |***| 0 0.28225 0.186707 0.218509 0.345631 0.348099 -0.0453007 -0.00650127 0 Weights: 1e-09 0 0 0.138059 0.715646 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0 3.54766 |***| 0 0.137564 0 0.334178 0 0.21962 0.217604 0 0.0645182 0.360795 |***| 0 0.393519 0.276474 0.00862218 0.423727 0.113512 -2.2184 -0.879342 0 [489:38] Calculating q-values [489:38] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 4879, 1445, 863, 0 [489:38] Trying mass accuracy 4.34546 ppm [489:38] Precursor search [493:46] Optimising weights Ids at 10% FDR using TC scoring: 1149 Ids at 10% FDR using TC selection: 1149 Averages: 0.0650081 0.0530186 0 0.0724862 0.152767 0.0394171 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0584386 0.0537427 |***| 0.688573 0.0860149 0.72326 0.0941351 0.0574952 0.301389 0.0566532 0 0.0672404 0.0375763 |***| 0 0.203085 0.139279 0.295866 0.333342 0.291231 -0.0356668 -0.0056903 0 Weights: 1e-09 0 0 0 1.04655 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0 3.16065 |***| 0 0.153072 0 0 0.106588 0.137642 0.182747 0 0.716888 0.0209477 |***| 0 0.324403 0.290121 0.121455 0.362507 0.0682597 -2.06733 -0.655371 0 [493:47] Calculating q-values [493:47] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 5236, 1508, 923, 0 [493:47] Trying mass accuracy 5.21456 ppm [493:47] Precursor search [497:59] Optimising weights Ids at 10% FDR using TC scoring: 1298 Ids at 10% FDR using TC selection: 1298 Averages: 0.0734104 0.058038 0 0.0684907 0.141893 0.0628661 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0629327 0.0575062 |***| 0.718724 0.0822167 0.628534 0.0993017 0.0893487 0.315833 0.0589411 0 0.0811944 0.058582 |***| 0 0.137858 0.121897 0.257784 0.328247 0.279832 -0.0137013 -0.00791301 0 Weights: 1e-09 0 0 0 0.927052 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.870731 2.32527 |***| 0 0.354895 0 0 0.462246 0 0.562865 0 0.771121 0.29302 |***| 0 0.266384 0.459106 0.0553878 0.26759 0.090091 -1.91338 -0.784266 0 [497:59] Calculating q-values [498:00] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 5543, 1715, 1130, 0 [498:00] Trying mass accuracy 6.25747 ppm [498:00] Precursor search [502:21] Optimising weights Ids at 10% FDR using TC scoring: 1382 Ids at 10% FDR using TC selection: 1382 Averages: 0.0613109 0.0656941 0 0.0704433 0.157785 -0.0132526 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0635197 0.0538268 |***| 0.631286 0.0827127 0.613747 0.10691 0.0661588 0.264647 0.0281724 0 0.0771167 0.0388761 |***| 0 0.117176 0.162998 0.104024 0.278673 0.199563 -0.00975336 -0.00528226 0 Weights: 1e-09 0 0 0.0830847 0.819749 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 1.53111 2.35402 |***| 0 0.0845737 0 0 0.739428 0 0.513698 0 0.467491 0.20737 |***| 0 0.144799 0.360515 0 0.264835 0.0783218 -1.20361 -0.534335 0 [502:21] Calculating q-values [502:22] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 5918, 1829, 1309, 0 [502:22] Trying mass accuracy 7.50896 ppm [502:22] Precursor search [506:53] Optimising weights Ids at 10% FDR using TC scoring: 1389 Ids at 10% FDR using TC selection: 1389 Averages: 0.0661966 0.0746713 0 0.0628479 0.152167 -0.0101098 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0678816 0.0575327 |***| 0.667304 0.0767118 0.496068 0.0997535 0.074423 0.277432 0.0260494 0 0.0826701 0.05291 |***| 0 0.158864 0.179155 0.125682 0.256195 0.172554 -0.0226034 -0.0108182 0 Weights: 1e-09 0 0 0 0.952494 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 2.00725 2.46635 |***| 0 0 0 0 0.628658 0.00192581 0.591735 0 0.279339 0 |***| 0 0.275287 0.282171 0 0.252971 0.0500167 -1.09801 -0.578271 0 [506:53] Calculating q-values [506:53] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 6196, 1947, 1372, 0 [506:53] Trying mass accuracy 9.01075 ppm [506:53] Precursor search [511:27] Optimising weights Ids at 10% FDR using TC scoring: 1497 Ids at 10% FDR using TC selection: 1497 Averages: 0.0566694 0.0588889 0 0.0599617 0.137413 0.0136585 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.054393 0.0420421 |***| 0.60606 0.0684221 0.435374 0.09281 0.0650202 0.275312 0.0317846 0 0.0763935 0.0437771 |***| 0 0.151081 0.154155 0.145086 0.246241 0.144798 -0.00709623 -0.00920602 0 Weights: 1e-09 0 0 0.21123 0.854958 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 1.72904 2.48495 |***| 0 0 0 0 0.518969 0 0.500679 0 0.603374 0.165786 |***| 0 0.33156 0.235847 0 0.263124 0.0811105 -0.894427 -0.452224 0 [511:28] Calculating q-values [511:28] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 6351, 1984, 1344, 0 [511:28] Trying mass accuracy 10.8129 ppm [511:28] Precursor search [516:17] Optimising weights Ids at 10% FDR using TC scoring: 1398 Ids at 10% FDR using TC selection: 1398 Averages: 0.0645305 0.0546167 0 0.0615259 0.148599 0.0355737 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0586015 0.0431243 |***| 0.59953 0.0674328 0.341907 0.0928429 0.0530187 0.212251 0.0431198 0 0.0826945 0.0595483 |***| 0 0.161683 0.14618 0.14473 0.304247 0.192911 -0.007551 -0.00786989 0 Weights: 1e-09 0 0 0 0.940736 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 1.36503 2.55887 |***| 0 0 0 0 0.587518 0 0.578857 0 0.782523 0.161472 |***| 0 0.335237 0.210315 0 0.23859 0.0416549 -1.34663 -0.162032 0 [516:17] Calculating q-values [516:18] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 6060, 1956, 1367, 0 [516:18] Trying mass accuracy 12.9755 ppm [516:18] Precursor search [521:05] Optimising weights Ids at 10% FDR using TC scoring: 1369 Ids at 10% FDR using TC selection: 1369 Averages: 0.0572727 0.0554133 0 0.0502625 0.123626 0.045484 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0496921 0.0440139 |***| 0.601089 0.0618824 0.18169 0.0711771 0.0726205 0.244056 0.0477404 0 0.0839089 0.0766989 |***| 0 0.134917 0.16229 0.11881 0.277646 0.197052 -0.0126378 -0.000652286 0 Weights: 1e-09 0 0 0 0.922736 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 1.01882 2.1285 |***| 0 0 0 0 0.611102 0 0.561746 0 0.626452 0.596806 |***| 0 0.0672342 0.234422 0 0.285343 0.0992898 -0.90331 -0.0103064 0 [521:05] Calculating q-values [521:05] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 6167, 1933, 1394, 0 [521:05] Trying mass accuracy 15.5706 ppm [521:06] Precursor search [525:55] Optimising weights Ids at 10% FDR using TC scoring: 1321 Ids at 10% FDR using TC selection: 1321 Averages: 0.0622074 0.0629016 0 0.0551725 0.119606 0.0440827 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0548603 0.0442214 |***| 0.6705 0.0717513 0.357315 0.0641751 0.0452908 0.227553 0.0432793 0 0.1066 0.107146 |***| 0 0.127523 0.166755 0.173623 0.300315 0.252077 -0.0239653 1.71316e-05 0 Weights: 1e-09 0 0 0 0.762358 0.0574723 0 0 0 0 |***| 0 0 0 0 0 0 0 0 1.02552 1.77108 |***| 0 0 0 0 0.576432 0 0.207498 0 1.22507 0.643338 |***| 0 0.283481 0.0818842 0.117872 0.0944589 0.191745 -0.969963 -0.0328124 0 [525:56] Calculating q-values [525:56] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 6080, 1930, 1359, 0 [525:56] Optimised mass accuracy: 9.01075 ppm [525:56] Precursor search [531:19] Optimising weights Ids at 10% FDR using TC scoring: 1551 Ids at 10% FDR using TC selection: 1551 Averages: 0.0802306 0.0833353 0 0.0597386 0.149104 0.0266439 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0757899 0.069681 |***| 0.560375 0.0704841 0.467576 0.100496 0.045863 0.221208 0.0372604 0.0024846 0.0743768 0.0371811 |***| 0.0681309 0.0908189 0.0833436 0.159419 0.249378 0.158191 -0.0214922 -0.00787021 -0.0181247 Weights: 1e-09 0 0 0 0.906889 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.917353 1.05148 |***| 0 0 0 0 0.113506 0.081774 0.151606 0.0762136 0.606893 0 |***| 0 0.200834 0.27911 0 0.24654 0.0130239 -1.30634 -0.505092 -1.80223 [531:19] Calculating q-values [531:20] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 6112, 2073, 1630, 1180 [531:20] Calibrating retention times [531:20] 1630 precursors used for iRT estimation. [531:20] Precursor search [531:20] Optimising weights Ids at 10% FDR using TC scoring: 1574 Ids at 10% FDR using TC selection: 1548 Averages: 0.0876211 0.0855237 0 0.0576681 0.155003 0.031537 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0823649 0.0754738 |***| 0.577374 0.0719564 0.487816 0.101165 0.0414545 0.227512 0.0271682 0.0193793 0.0793303 0.0403246 |***| 0.0651678 0.101075 0.118587 0.111835 0.234004 0.17845 -0.0151753 -0.00695299 -0.0183779 Weights: 1e-09 0 0 0 0.992262 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.915189 0.924146 |***| 0 0 0 0 0.408436 0.0418213 0 0.17692 0.845279 0 |***| 0 0.315138 0.312005 0 0.247446 0 -1.51413 -0.584067 -2.47852 [531:20] Calculating q-values [531:21] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 6635, 2064, 1534, 1106 [531:21] Reverting weights [531:21] Preventing the linear classifier from using the full set of weights in the future [531:21] Precursor search [531:21] Optimising weights Ids at 10% FDR using TC scoring: 1544 Ids at 10% FDR using TC selection: 1548 Averages: 0.0806528 0.0835515 0 0.0586157 0.153657 0.0293519 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0757609 0.0708159 |***| 0.557014 0.0702082 0.455715 0.103235 0.0460538 0.221115 0.0362313 0 0.0742179 0.0388861 |***| 0 0.0968036 0.0862268 0.171698 0.259165 0.169354 -0.0200328 -0.00868256 Weights: 1e-09 0 0 0 0.959877 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 1.0249 0.989517 |***| 0 0 0 0 0.193369 0.0719318 0.217244 0 0.612465 0 |***| 0 0.214865 0.278418 0 0.255448 0.029265 -1.50697 -0.571246 [531:21] Calculating q-values [531:21] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 6214, 1989, 1452, 1020 [531:21] Reverting weights [531:21] Precursor search [531:22] Optimising weights Ids at 10% FDR using TC scoring: 1544 Ids at 10% FDR using TC selection: 1548 Averages: 0.0806528 0.0835515 0 0.0586157 0.153657 0.0293519 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0757609 0.0708159 |***| 0.557014 0.0702082 0.455715 0.103235 0.0460538 0.221115 0.0362313 0 0.0742179 0.0388861 |***| 0 0.0968036 0.0862268 0.171698 0.259165 0.169354 -0.0200328 -0.00868256 Weights: 1e-09 0 0 0 0.959877 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 1.0249 0.989517 |***| 0 0 0 0 0.193369 0.0719318 0.217244 0 0.612465 0 |***| 0 0.214865 0.278418 0 0.255448 0.029265 -1.50697 -0.571246 [531:22] Calculating q-values [531:22] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 6214, 1989, 1452, 1020 [531:22] Reverting weights [531:22] Precursor search [531:23] Optimising weights Ids at 10% FDR using TC scoring: 1544 Ids at 10% FDR using TC selection: 1548 Averages: 0.0806528 0.0835515 0 0.0586157 0.153657 0.0293519 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0.0757609 0.0708159 |***| 0.557014 0.0702082 0.455715 0.103235 0.0460538 0.221115 0.0362313 0 0.0742179 0.0388861 |***| 0 0.0968036 0.0862268 0.171698 0.259165 0.169354 -0.0200328 -0.00868256 Weights: 1e-09 0 0 0 0.959877 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 1.0249 0.989517 |***| 0 0 0 0 0.193369 0.0719318 0.217244 0 0.612465 0 |***| 0 0.214865 0.278418 0 0.255448 0.029265 -1.50697 -0.571246 [531:23] Calculating q-values [531:23] Number of IDs at 50%, 5%, 1%, 0.1% FDR: 6214, 1989, 1452, 1020 [531:23] Reverting weights [531:23] Restoring classifier and weights to 1 0 0 0 0 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0 0 |***| 0 0 0 0 0 0 0 0 0 [531:23] Precursor search DIA-NN exited DIA-NN-plotter.exe "C:\DIA-NN\1.8\report.stats.tsv" "C:\DIA-NN\1.8\report.tsv" "C:\DIA-NN\1.8\report.pdf" PDF report will be generated in the background
Looks like not enough memory in the system. Try reducing the search space & using options in DIA-NN that reduce memory usage.
It worked after I gave it more threads. Thanks!
Hi Vadim,
I ran a library-free search on diaPASEF data on my PC, but DIA-NN exits during precursor search, without writing any report. What might be causing this issue?
Thanks so much!