Hello Alastair, The link to the mzML file actually links to the pepXML file. Can you please upload and link the mzML data file?
Thanks, -David On Thu, Sep 13, 2018 at 4:24 AM, alastair.skeffington via spctools-discuss < spctools-discuss@googlegroups.com> wrote: > Hi David, > > So now I no longer get the 'cannot open' error, but I get a segmentation > fault again. Here's what prints to stdout. > > Completing 506147 prev_aa and next_aa attributes by parsing through the > database... > Replacing 35749 protein id with full ids by parsing through the database... > searching ../databases/Ehux_JGIbest_NCMC_nostar.fasta.....5%..... > 10%.....15%.....20%.....30%.....35%.....40%.....45%.....50%. > ....60%.....65%.....70%.....75%.....80%.....90%.....95%...done > Skipping .dta, .out and .tgz generation > Segmentation fault (core dumped) > > > Here's the mzML file: https://we.tl/t-votxgo5HOI > > The .dat file is here: https://we.tl/t-kKGYJ81HbQ > <https://we.tl/t-kKGYJ81HbQ> > > Hopfully we're nearly there! > > Thanks, > Alastair > > > Am Freitag, 7. September 2018 18:36:25 UTC+2 schrieb David Shteynberg: >> >> Hello Alastair, >> >> It appears that Mascot2XML cannot read the mzML file to get spectrum and >> instrument info. Your dat file should be renamed to have the same basename >> as you mzML file. For instance, if your mzML file is MYDATA.mzML your dat >> file should be renamed to MYDATA.dat, then the converter applied. If you >> can post your mzML data I can test the process to completion on my system. >> >> Thanks, >> -David >> >> On Wed, Sep 5, 2018 at 1:53 AM, alastair.skeffington via spctools-discuss >> <spctools...@googlegroups.com> wrote: >> >>> Hi David, >>> >>> Thanks for the idea. It looks like we're moving in the right direction... >>> >>> When I run this command: >>> >>> Mascot2XML A1_JGIbest_mascot.dat >>> -D../databases/Ehux_JGIbest_NCMC_nostar.fasta >>> -Etrypsin -notgz -nodta >>> >>> I get the following on stout and it writes an empty pep.xml file. What >>> file is it trying to open for reading scan numbers and instrument info? >>> >>> A stored as 71.0371 >>> B stored as 114.535 >>> C stored as 160.031 >>> D stored as 115.027 >>> E stored as 129.043 >>> F stored as 147.068 >>> G stored as 57.0215 >>> H stored as 137.059 >>> I stored as 113.084 >>> J stored as 113.084 >>> K stored as 128.095 >>> L stored as 113.084 >>> M stored as 131.04 >>> N stored as 114.043 >>> O stored as 237.148 >>> P stored as 97.0528 >>> Q stored as 128.059 >>> R stored as 156.101 >>> S stored as 87.032 >>> T stored as 101.048 >>> U stored as 150.954 >>> V stored as 99.0684 >>> W stored as 186.079 >>> X stored as 111 >>> Y stored as 163.063 >>> Z stored as 128.551 >>> c stored as 17.0027 >>> n stored as 1.00782 >>> variable modification 1, delta mass 15.9949 for Oxidation (M): >>> residues: M >>> nterm: 0 >>> cterm: 0 >>> protterm: 0 >>> >>> Incomplete file name. No file loaded: >>> warning: cannot open "" for reading scan numbers. >>> trypsin : cut(KR) nocuts(P) sense(C) >>> Completing 399999 prev_aa and next_aa attributes by parsing through the >>> database... >>> Replacing 33816 protein id with full ids by parsing through the >>> database... >>> searching ../databases/Ehux_JGIbest_NCMC_nostar.fasta.....5%.....10%.. >>> ...15%.....20%.....30%.....35%.....40%.....45%.....50%..... >>> 60%.....65%.....70%.....75%.....80%.....90%.....95%...done >>> Skipping .dta, .out and .tgz generation >>> Incomplete file name. No file loaded: >>> warning: cannot open "" for reading MS instrument info. >>> Segmentation fault (core dumped) >>> >>> >>> Thanks for your continuing help, >>> Alastair >>> >>> Am Dienstag, 4. September 2018 18:32:30 UTC+2 schrieb David Shteynberg: >>>> >>>> Can you try ypur command using options -notgz and -nodta? >>>> >>>> Thanks, >>>> David >>>> >>>> >>>> On Mon, Sep 3, 2018, 1:21 AM alastair.skeffington via spctools-discuss < >>>> spctools...@googlegroups.com> wrote: >>>> >>>>> Hi David, >>>>> >>>>> Thanks for the patched version. >>>>> >>>>> The segmentation fault is gone, but I still get the following warnings: >>>>> >>>>> *Incomplete file name. No file loaded:* >>>>> * warning: cannot open "" for reading scan numbers.* >>>>> *error writing file* /home/mpimp-golm.mpg.de/skeffi >>>>> ngton/winhome/linux/Pacbio_data1_2017/120718_analysis5/ >>>>> search_stability/converter/A1_JGIbest_mascot.43142.43142.1.dta: *Numeric >>>>> group ID too large* >>>>> >>>>> Are you able to download the data from this link >>>>> https://we.tl/t-FSq4TWEATd >>>>> <https://www.google.com/url?q=https%3A%2F%2Fwe.tl%2Ft-FSq4TWEATd&sa=D&sntz=1&usg=AFQjCNF0WLtoevgiHOFZ5LHqDZ_PsW9gvA> >>>>> or >>>>> shall I send it to you another way (eg our Max Planck secure transfer >>>>> server - but this is mediated via email)? >>>>> >>>>> Many thanks, >>>>> Alastair >>>>> >>>>> >>>>> Am Freitag, 31. August 2018 22:28:34 UTC+2 schrieb David Shteynberg: >>>>>> >>>>>> Hello Alastair, >>>>>> >>>>>> I have a patched version of Mascot2XML for you to try available here: >>>>>> https://www.dropbox.com/s/mm719r4hcxn8zv7/Mascot2XML?dl=0 >>>>>> >>>>>> Please let me know whether you encounter more errors or not. >>>>>> >>>>>> Thanks, >>>>>> -David >>>>>> >>>>>> On Fri, Aug 31, 2018 at 2:54 AM, alastair.skeffington via >>>>>> spctools-discuss <spctools...@googlegroups.com> wrote: >>>>>> >>>>>>> Short update - I also get segmentation faults now when I run other >>>>>>> TPP commants (eg xinteract) on files that previously ran without errors. >>>>>>> Can replacing the Mascot2XML executable really have had this effect? >>>>>>> Alastair >>>>>>> >>>>>>> >>>>>>> Am Freitag, 31. August 2018 11:08:48 UTC+2 schrieb >>>>>>> alastair.s...@googlemail.com: >>>>>>>> >>>>>>>> Hi David, >>>>>>>> >>>>>>>> Thanks for sending the latest version. As you suggested we simply >>>>>>>> replaced the old file with the new one. It does run, but unfortunately >>>>>>>> I >>>>>>>> get a 'segmentation fault (core dumped)' after it's read in the >>>>>>>> variable >>>>>>>> modifications. Does it try to access or write to different directories >>>>>>>> than >>>>>>>> does the original version? >>>>>>>> >>>>>>>> I've put an example .dat file here: https://we.tl/t-FSq4TWEATd >>>>>>>> <https://we.tl/t-FSq4TWEATd> if you have time to have a look. >>>>>>>> >>>>>>>> Thanks for your help! >>>>>>>> Alastair >>>>>>>> >>>>>>>> Am Donnerstag, 30. August 2018 21:44:11 UTC+2 schrieb David >>>>>>>> Shteynberg: >>>>>>>>> >>>>>>>>> I put Mascot2XML from the latest code version, compiled on same >>>>>>>>> version of Ubuntu, at the following link: >>>>>>>>> >>>>>>>>> https://www.dropbox.com/s/mm719r4hcxn8zv7/Mascot2XML?dl=0 >>>>>>>>> >>>>>>>>> >>>>>>>>> Let me know if this version works any better for your data. >>>>>>>>> >>>>>>>>> -David >>>>>>>>> >>>>>>>>> >>>>>>>>> On Thu, Aug 30, 2018 at 1:40 AM, alastair.skeffington via >>>>>>>>> spctools-discuss <spctools...@googlegroups.com> wrote: >>>>>>>>> >>>>>>>>>> >>>>>>>>>> Great, it's Ubuntu 16.04.4 LTS. >>>>>>>>>> >>>>>>>>>> Thanks, >>>>>>>>>> Alastair >>>>>>>>>> >>>>>>>>>> Am Mittwoch, 29. August 2018 23:12:46 UTC+2 schrieb David >>>>>>>>>> Shteynberg: >>>>>>>>>>> >>>>>>>>>>> It should be as easy to integrate as copying the new executable >>>>>>>>>>> in place of the old one. Which version of linux are you using? >>>>>>>>>>> >>>>>>>>>>> Thanks, >>>>>>>>>>> -David >>>>>>>>>>> >>>>>>>>>>> On Wed, Aug 29, 2018 at 1:29 PM, alastair.skeffington via >>>>>>>>>>> spctools-discuss <spctools...@googlegroups.com> wrote: >>>>>>>>>>> >>>>>>>>>>>> Hello David, >>>>>>>>>>>> >>>>>>>>>>>> Many thanks for your prompt reply. >>>>>>>>>>>> >>>>>>>>>>>> The new executable would be fantastic. Will that be easy to >>>>>>>>>>>> incorporate to an existing Linux build of TPP? >>>>>>>>>>>> >>>>>>>>>>>> Thanks again, >>>>>>>>>>>> Alastair >>>>>>>>>>>> >>>>>>>>>>>> Am Mittwoch, 29. August 2018 18:11:12 UTC+2 schrieb David >>>>>>>>>>>> Shteynberg: >>>>>>>>>>>>> >>>>>>>>>>>>> Hello Alastair, >>>>>>>>>>>>> >>>>>>>>>>>>> There have been some changes to the Mascot format that >>>>>>>>>>>>> required Mascot2XML code changes that I implemented a couple of >>>>>>>>>>>>> month ago. >>>>>>>>>>>>> I can either send you my new executable or if you can post your >>>>>>>>>>>>> Mascot >>>>>>>>>>>>> output file where I can download it I can make sure the converter >>>>>>>>>>>>> works on >>>>>>>>>>>>> your files. Let me know what you prefer. >>>>>>>>>>>>> >>>>>>>>>>>>> Cheers, >>>>>>>>>>>>> -David >>>>>>>>>>>>> >>>>>>>>>>>>> On Wed, Aug 29, 2018 at 5:34 AM, alastair.skeffington via >>>>>>>>>>>>> spctools-discuss <spctools...@googlegroups.com> wrote: >>>>>>>>>>>>> >>>>>>>>>>>>>> Update: >>>>>>>>>>>>>> >>>>>>>>>>>>>> Running MascotXML on windows produces the same set or errors, >>>>>>>>>>>>>> but not the last "error writing file errors". Unlike running >>>>>>>>>>>>>> the program >>>>>>>>>>>>>> on linux, on windows it does produce a pepxml output. The >>>>>>>>>>>>>> question is is >>>>>>>>>>>>>> this output reliable, given all the 'could not find scan number' >>>>>>>>>>>>>> warnings? >>>>>>>>>>>>>> >>>>>>>>>>>>>> Alastair >>>>>>>>>>>>>> >>>>>>>>>>>>>> >>>>>>>>>>>>>> Am Mittwoch, 29. August 2018 11:49:20 UTC+2 schrieb >>>>>>>>>>>>>> alastair.s...@googlemail.com: >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> Hello, >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> I'm trying to incorporate Mascot search results into a TPP >>>>>>>>>>>>>>> analysis, but am having great trouble doing so. I'm working >>>>>>>>>>>>>>> with TPP >>>>>>>>>>>>>>> (installed a couple of months ago) on the linux command line >>>>>>>>>>>>>>> but running >>>>>>>>>>>>>>> Mascot (2.5) on a windows server. >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> When I run the .dat output from Mascot through Mascot2XML I >>>>>>>>>>>>>>> get various errors: >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> First the program reads the amino acid masses and >>>>>>>>>>>>>>> modifications then I get this: >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> *Incomplete file name. No file loaded:* >>>>>>>>>>>>>>> * warning: cannot open "" for reading scan numbers.* >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> then lots of errors of this type: >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> *Warning: could not find scan numbers of spectrum >>>>>>>>>>>>>>> A1.5108.5108.2(intensity=4388884.9462)* >>>>>>>>>>>>>>> *Set to 0000* >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> And finally this: >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> *error writing file >>>>>>>>>>>>>>> /home/mpimp-golm.mpg.de/skeffington/winhome/linux/Pacbio_data1_2017/120718_analysis5/search_stability/converter/Wed_Aug_29_10-57-47_2018.spectrum30.00000.00000.2.dta >>>>>>>>>>>>>>> <http://mpimp-golm.mpg.de/skeffington/winhome/linux/Pacbio_data1_2017/120718_analysis5/search_stability/converter/Wed_Aug_29_10-57-47_2018.spectrum30.00000.00000.2.dta>: >>>>>>>>>>>>>>> Numeric group ID too large* >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> I've tried two methods of generating the mgf input to >>>>>>>>>>>>>>> Mascot: first peak picking with progenesis and export as mgf, >>>>>>>>>>>>>>> and secondy >>>>>>>>>>>>>>> converting the RAW file to mzML with MSconvert and then >>>>>>>>>>>>>>> convering this to a >>>>>>>>>>>>>>> mgf with MzXML2Search. Both times the .dat file exported from >>>>>>>>>>>>>>> Mascot gives >>>>>>>>>>>>>>> the above errors. The .dat file definitely has unix text >>>>>>>>>>>>>>> encoding. >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> Looking at some previous posts issues with this step weren't >>>>>>>>>>>>>>> enough for me to solve it (something to do with scan numbers >>>>>>>>>>>>>>> and title >>>>>>>>>>>>>>> fields...) >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> An example file can be downloaded from here: >>>>>>>>>>>>>>> https://we.tl/t-reBlJEnXAc but I've copy pasted examples >>>>>>>>>>>>>>> of the format of the different sections of the file below in >>>>>>>>>>>>>>> case that's >>>>>>>>>>>>>>> easier. >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> Any help would be very much appreciated! >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> Thanks, >>>>>>>>>>>>>>> Alastair >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> sequences=39303 >>>>>>>>>>>>>>> sequences_after_tax=39303 >>>>>>>>>>>>>>> residues=13344484 >>>>>>>>>>>>>>> distribution=39254,0,1,1,15,8,14,2,4,1,2,1 >>>>>>>>>>>>>>> decoy_type=1 >>>>>>>>>>>>>>> distribution_decoy=39274,0,0,1,8,5,7,3,2,1,2 >>>>>>>>>>>>>>> exec_time=337 >>>>>>>>>>>>>>> date=1535490575 >>>>>>>>>>>>>>> time=23:09:35 >>>>>>>>>>>>>>> queries=80990 >>>>>>>>>>>>>>> min_peaks_for_homology=6 >>>>>>>>>>>>>>> max_hits=50 >>>>>>>>>>>>>>> version=2.5.1 >>>>>>>>>>>>>>> fastafile=D:/inetpub/mascot/sequence/Ehux_JGIbest_NCMC/curre >>>>>>>>>>>>>>> nt/Ehux_JGIbest_NCMC_110817.fasta >>>>>>>>>>>>>>> release=Ehux_JGIbest_NCMC_110817.fasta >>>>>>>>>>>>>>> taskid=153549023801 >>>>>>>>>>>>>>> --gc0p4Jq0M2Yt08jU534c0p >>>>>>>>>>>>>>> Content-Type: application/x-Mascot; name="summary" >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> qmass1=398.226814 >>>>>>>>>>>>>>> qexp1=200.120683,2+ >>>>>>>>>>>>>>> qmatch1=0 >>>>>>>>>>>>>>> qplughole1=0.000000 >>>>>>>>>>>>>>> qmass2=398.226814 >>>>>>>>>>>>>>> qexp2=200.120683,2+ >>>>>>>>>>>>>>> qmatch2=0 >>>>>>>>>>>>>>> qplughole2=0.000000 >>>>>>>>>>>>>>> qmass3=398.226860 >>>>>>>>>>>>>>> qexp3=200.120706,2+ >>>>>>>>>>>>>>> qmatch3=0 >>>>>>>>>>>>>>> qplughole3=0.000000 >>>>>>>>>>>>>>> qmass4=399.221954 >>>>>>>>>>>>>>> qexp4=200.618253,2+ >>>>>>>>>>>>>>> qmatch4=0 >>>>>>>>>>>>>>> qplughole4=0.000000 >>>>>>>>>>>>>>> qmass5=399.222074 >>>>>>>>>>>>>>> qexp5=200.618313,2+ >>>>>>>>>>>>>>> qmatch5=0 >>>>>>>>>>>>>>> qplughole5=0.000000 >>>>>>>>>>>>>>> qmass6=399.222328 >>>>>>>>>>>>>>> qexp6=200.618440,2+ >>>>>>>>>>>>>>> qmatch6=0 >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> ... >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> q20941_p4=2,1060.617508,-0.002194,3,ARMARVTIK,26,00010000000 >>>>>>>>>>>>>>> ,4.49,0001002000000000000,0,0;"jgi|Emihu1|229675|gm1. >>>>>>>>>>>>>>> 15700096":0:180:188:1 >>>>>>>>>>>>>>> q20941_p4_terms=R,H >>>>>>>>>>>>>>> q20941_p4_primary_nl=00020000000 >>>>>>>>>>>>>>> q20941_p5=1,1060.606277,0.009037,4,LNVMLTRAK,42,00001000000, >>>>>>>>>>>>>>> 3.59,0000002000000000000,0,0;"jgi|Emihu1|44663|gw1.52.19.1": >>>>>>>>>>>>>>> 0:149:157:1 >>>>>>>>>>>>>>> q20941_p5_terms=R,R >>>>>>>>>>>>>>> q20941_p5_primary_nl=00001000000 >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> .... >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> q63508_p1_terms=K,- >>>>>>>>>>>>>>> q63508_p1_primary_nl=000100000000000000000 >>>>>>>>>>>>>>> q63509_p1=-1 >>>>>>>>>>>>>>> q63510_p1=-1 >>>>>>>>>>>>>>> q63511_p1=0,1992.930984,0.017676,9,ETEGMDEVTLGTEANLLR,60, >>>>>>>>>>>>>>> 00000100000000000000,7.65,2000002010000000000,0,0;"jgi|Emihu >>>>>>>>>>>>>>> 1|463299|estExtDG_fgeneshEH_pg.C_230161":0:45:62:1 >>>>>>>>>>>>>>> q63511_p1_terms=K,M\ >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> ... >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> title=A1%2e48180%2e48180%2e2%20%28intensity%3d1550626%2e6695 >>>>>>>>>>>>>>> %29 >>>>>>>>>>>>>>> scans=48180 >>>>>>>>>>>>>>> rtinseconds=4637.902 >>>>>>>>>>>>>>> index=39202 >>>>>>>>>>>>>>> charge=2+ >>>>>>>>>>>>>>> mass_min=66.398610 >>>>>>>>>>>>>>> mass_max=770.192020 >>>>>>>>>>>>>>> int_min=3319 >>>>>>>>>>>>>>> int_max=3.549e+006 >>>>>>>>>>>>>>> num_vals=141 >>>>>>>>>>>>>>> num_used1=-1 >>>>>>>>>>>>>>> Ions1=86.096660:3.549e+006,199.179960:1.199e+006,357.248570: >>>>>>>>>>>>>>> 4.584e+005,444.280060:2.021e+005,487.322240:1.532e+005,600. >>>>>>>>>>>>>>> 369630:3.986e+005,713.455020:3.884e+004,770.192020:7872, >>>>>>>>>>>>>>> 147.112400:4.108e+005,197.127910:2.67e+005,317.216950:1. >>>>>>>>>>>>>>> 678e+005,430.301210:8.45e+004,529.345640:1.558e+004,588. >>>>>>>>>>>>>>> 369870:1.166e+005,714.459470:9704,72.081130:2.477e+005,215. >>>>>>>>>>>>>>> 138400:2.403e+005,358.251280:1.064e+005,426.269350:7.395e+ >>>>>>>>>>>>>>> 004,550.296200:1.485e+004,601.372070:1.069e+005,673.825260: >>>>>>>>>>>>>>> 7357,129.101970:2.476e+005,227.174790:2.282e+005,365.1805 >>>>>>>>>>>>>>> 40:7.352e+004,445.283690:5.422e+004,543.350650:1.115e+004 >>>>>>>>>>>>>>> ,602.376530:2.686e+004,688.241390:7128,70.065490:2.41e+005, >>>>>>>>>>>>>>> 175.118500:1.172e+005,298.174900:4.843e+004,454.265870:1. >>>>>>>>>>>>>>> 403e+004,469.551240:7739,74.060400:1.876e+005,260.196080:1. >>>>>>>>>>>>>>> 153e+005,308.159150:4.422e+004,452.285550:1.292e+004,502.667 >>>>>>>>>>>>>>> 720:7425,120.080620:1.568e+005,200.183460:1.14e+005,311.1700 >>>>>>>>>>>>>>> 10:4.379e+004,442.264250:1.148e+004,130.086000:1.566e+005 >>>>>>>>>>>>>>> ,211.143750:1.035e+005,284.196290:4.02e+004,396.259830:1.11e >>>>>>>>>>>>>>> +004,136.075380:1.516e+005,183.148790:1.027e+005,329.180820: >>>>>>>>>>>>>>> 3.99e+004,383.191410:9470,87.100010:1.442e+005,171.112180: >>>>>>>>>>>>>>> 9.939e+004,337.186160:3.741e+004,427.275510:8092,66.398610: >>>>>>>>>>>>>>> 7476,69.070260:2.981e+004,71.068760:7072,71.847320:6862,73. >>>>>>>>>>>>>>> 084510:1.178e+004,84.044650:1.004e+005,84.081050:1.141e+005, >>>>>>>>>>>>>>> 87.093630:9692,93.159360:6454,95.283780:7634,100.701740: >>>>>>>>>>>>>>> 8448,101.071040:2.914e+004,101.107370:1.525e+004,102. >>>>>>>>>>>>>>> 055060:6.669e+004,110.071190:3.968e+004,113.070880:5.693e+ >>>>>>>>>>>>>>> 004,115.086430:7442,121.083990:1.449e+004,124.039130: >>>>>>>>>>>>>>> 1.091e+004,128.682070:6426,129.065540:3.012e+004,131. >>>>>>>>>>>>>>> 081120:1.371e+004,131.089710:8456,141.065400:5.452e+004, >>>>>>>>>>>>>>> 141.101940:1.45e+004,143.117430:7.816e+004,148.115490:1. >>>>>>>>>>>>>>> 053e+004,155.081120:1.101e+004,157.096530:4.699e+004,157.129 >>>>>>>>>>>>>>> 850:4876,157.133100:3.958e+004,158.092270:9042,159.076220:4. >>>>>>>>>>>>>>> 93e+004,159.090820:7016,166.963810:7044,169.096510:1.182e+ >>>>>>>>>>>>>>> 004,170.116810:6923,171.148670:4.607e+004,177.101940: >>>>>>>>>>>>>>> 1.231e+004,184.152160:7317,185.091710:6.211e+004,185. >>>>>>>>>>>>>>> 123340:3319,185.127880:3.533e+004,185.164430:1.273e+004,187. >>>>>>>>>>>>>>> 071200:9269,189.122920:8.606e+004,199.107360:7783,201. >>>>>>>>>>>>>>> 549090:3.6e+004,202.117870:1.31e+004,209.127430:8030,212. >>>>>>>>>>>>>>> 102580:7999,213.158710:8006,225.122740:5.26e+004,226. >>>>>>>>>>>>>>> 118640:9989,228.133470:4.721e+004,229.154480:1.473e+004,233. >>>>>>>>>>>>>>> 091510:1.15e+004,239.174640:9244,240.133970:1.139e+004, >>>>>>>>>>>>>>> 242.186170:4.089e+004,243.134110:8297,244.128800:3.847e+ >>>>>>>>>>>>>>> 004,244.165070:5.539e+004,245.185180:3.016e+004,251.102390: >>>>>>>>>>>>>>> 8286,254.149260:1.123e+004,255.143660:6924,270.180480:2. >>>>>>>>>>>>>>> 275e+004,273.119570:7401,278.148990:8556,280.164400:3.296e+0 >>>>>>>>>>>>>>> 04,301.187160:8614,306.159450:8586,312.191350:1.242e+004, >>>>>>>>>>>>>>> 313.222900:2.622e+004,315.201870:1.506e+004,323.171140:1. >>>>>>>>>>>>>>> 431e+004,326.170290:2.886e+004,339.202150:9492,339.238100:3. >>>>>>>>>>>>>>> 735e+004,341.181240:2.631e+004,345.224520:9916,391. >>>>>>>>>>>>>>> 875700:7250,403.229950:7642,410.580260:7000,438.265170:7058 >>>>>>>>>>>>>>> --gc0p4Jq0M2Yt08jU534c0p >>>>>>>>>>>>>>> Content-Type: application/x-Mascot; name="query10199" >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> title=A1%2e70680%2e70680%2e2%20%28intensity%3d375254%2e7564% >>>>>>>>>>>>>>> 29 >>>>>>>>>>>>>>> scans=70680 >>>>>>>>>>>>>>> rtinseconds=6914.338 >>>>>>>>>>>>>>> index=7468 >>>>>>>>>>>>>>> charge=2+ >>>>>>>>>>>>>>> mass_min=63.842020 >>>>>>>>>>>>>>> mass_max=644.440980 >>>>>>>>>>>>>>> int_min=1827 >>>>>>>>>>>>>>> int_max=4.968e+005 >>>>>>>>>>>>>>> num_vals=105 >>>>>>>>>>>>>>> num_used1=-1 >>>>>>>>>>>>>>> Ions1=86.096690:4.968e+005,185.128020:1.034e+005,288.202120: >>>>>>>>>>>>>>> 3.243e+004,401.286380:6.386e+004,529.344060:9.373e+004,642. >>>>>>>>>>>>>>> 428220:8.514e+004,157.133160:2.682e+005,175.118550:9.25e+ >>>>>>>>>>>>>>> 004,355.232360:1.979e+004,402.289310:1.288e+004,512.317380: >>>>>>>>>>>>>>> 2.341e+004,643.430240:3.278e+004,70.065510:4.716e+004,242. >>>>>>>>>>>>>>> 149150:5.654e+004,271.175420:1.637e+004,384.259920:8715, >>>>>>>>>>>>>>> 530.346620:1.705e+004,644.440980:2124,120.080800:3.751e+ >>>>>>>>>>>>>>> 004,235.106700:2.773e+004,268.165340:9687,408.559200:2663, >>>>>>>>>>>>>>> 511.335450:1.032e+004,72.081180:3.3e+004,199.179870:2. >>>>>>>>>>>>>>> 649e+004,303.947940:6403,366.178410:2520,513.322940:1.02e+ >>>>>>>>>>>>>>> 004,131.117550:2.633e+004,197.648350:1.781e+004,272.176420: >>>>>>>>>>>>>>> 3824,563.330140:8138,158.136580:2.275e+004,227.174800: >>>>>>>>>>>>>>> 1.427e+004,303.931000:2849,531.352230:5067,87.100110:1. >>>>>>>>>>>>>>> 905e+004,197.636980:1.292e+004,356.237340:2786,494. >>>>>>>>>>>>>>> 307340:4680,87.044280:1.535e+004,170.059630:1.177e+004,298. >>>>>>>>>>>>>>> 211940:2697,527.353580:2742,158.092240:1.53e+004,214. >>>>>>>>>>>>>>> 154650:9927,265.176760:2483,492.291170:2626,63.842020: >>>>>>>>>>>>>>> 2005,66.224640:1899,69.070110:2143,73.266720:2197,82.290240: >>>>>>>>>>>>>>> 1866,83.052990:2068,84.044690:1.026e+004,84.081000:8933,84. >>>>>>>>>>>>>>> 667250:2618,87.093480:2158,92.023680:2293,101.070970:1.013e+ >>>>>>>>>>>>>>> 004,102.054810:3958,103.413090:2339,110.071080:2344, >>>>>>>>>>>>>>> 112.086830:8846,113.070780:2407,115.086500:7391,116. >>>>>>>>>>>>>>> 070680:3806,129.102020:1.159e+004,130.064680:2253,130. >>>>>>>>>>>>>>> 085600:3336,132.080470:3841,136.075440:3968,143.117680: >>>>>>>>>>>>>>> 5118,147.112550:1.107e+004,156.112780:3412,159.091320:1. >>>>>>>>>>>>>>> 044e+004,160.095310:2344,171.112260:2262,175.086440:3021, >>>>>>>>>>>>>>> 176.122380:5062,183.148970:2888,185.165280:2258,186. >>>>>>>>>>>>>>> 131880:8686,197.127960:3542,197.640200:1827,217.097080: >>>>>>>>>>>>>>> 3722,224.138460:3149,225.123030:9809,236.110140:3376, >>>>>>>>>>>>>>> 243.152860:4158,249.098460:2229,253.189440:2157,255. >>>>>>>>>>>>>>> 148860:2580,256.170380:4852,260.195710:4951,261.368990: >>>>>>>>>>>>>>> 2484,263.102390:4062,279.784480:2370,294.600830:2052, >>>>>>>>>>>>>>> 332.843440:1898,337.220180:2177,340.478580:1972,355. >>>>>>>>>>>>>>> 045900:2028,475.631710:2415,491.980320:2140 >>>>>>>>>>>>>>> --gc0p4Jq0M2Yt08jU534c0p >>>>>>>>>>>>>>> Content-Type: application/x-Mascot; name="query10200" >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> .... >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> query72071=2915761 >>>>>>>>>>>>>>> query72072=2915776 >>>>>>>>>>>>>>> query72073=2915791 >>>>>>>>>>>>>>> query72074=2915806 >>>>>>>>>>>>>>> query72075=2915821 >>>>>>>>>>>>>>> query72076=2915836 >>>>>>>>>>>>>>> query72077=2915851 >>>>>>>>>>>>>>> query72078=2915866 >>>>>>>>>>>>>>> query72079=2915881 >>>>>>>>>>>>>>> query72080=2915896 >>>>>>>>>>>>>>> query72081=2915911 >>>>>>>>>>>>>>> query72082=2915926 >>>>>>>>>>>>>>> query72083=2915941 >>>>>>>>>>>>>>> query72084=2915956 >>>>>>>>>>>>>>> query72085=2915971 >>>>>>>>>>>>>>> query72086=2915986 >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> >>>>>>>>>>>>>>> .... >>>>>>>>>>>>>>> >>>>>>>>>>>>>> -- >>>>>>>>>>>>>> You received this message because you are subscribed to the >>>>>>>>>>>>>> Google Groups "spctools-discuss" group. >>>>>>>>>>>>>> To unsubscribe from this group and stop receiving emails from >>>>>>>>>>>>>> it, send an email to spctools-discu...@googlegroups.com. >>>>>>>>>>>>>> To post to this group, send email to >>>>>>>>>>>>>> spctools...@googlegroups.com. >>>>>>>>>>>>>> Visit this group at https://groups.google.com/grou >>>>>>>>>>>>>> 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