Can you also link the database? Thanks!
On Thu, Sep 13, 2018 at 4:14 PM, David Shteynberg < [email protected]> wrote: > 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 > <[email protected]> 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 <[email protected]> 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%.....6 >>>> 0%.....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 >>>>> <[email protected]> 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/searc >>>>>> h_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 <[email protected]> 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 >>>>>>>> [email protected]: >>>>>>>>> >>>>>>>>> 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 <[email protected]> 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 <[email protected]> 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 <[email protected]> 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 >>>>>>>>>>>>>>> [email protected]: >>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>> 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/se >>>>>>>>>>>>>>>> quence/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,-0.002 >>>>>>>>>>>>>>>> 194,3,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=1,1060.606277,0.0090 >>>>>>>>>>>>>>>> 37,4,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=0,1992.930984,0.0176 >>>>>>>>>>>>>>>> 76,9,ETEGMDEVTLGTEANLLR,60,000 >>>>>>>>>>>>>>>> 00100000000000000,7.65,2000002010000000000,0,0;"jgi|Emihu1| >>>>>>>>>>>>>>>> 463299|estExtDG_fgeneshEH_pg.C_230161":0:45:62:1 >>>>>>>>>>>>>>>> q63511_p1_terms=K,M\ >>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>> ... >>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>> title=A1%2e48180%2e48180%2e2%2 >>>>>>>>>>>>>>>> 0%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+0 >>>>>>>>>>>>>>>> 05,487.322240:1.532e+005,600.3 >>>>>>>>>>>>>>>> 69630:3.986e+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+005,365.180540: >>>>>>>>>>>>>>>> 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+004,502.667720: >>>>>>>>>>>>>>>> 7425,120.080620:1.568e+005,200.183460:1.14e+005,311.17001 >>>>>>>>>>>>>>>> 0:4.379e+004,442.264250:1.148e+004,130.086000:1.566e+005, >>>>>>>>>>>>>>>> 211.143750:1.035e+005,284.1962 >>>>>>>>>>>>>>>> 90:4.02e+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 >>>>>>>>>>>>>>>> ,427.275510:8092,66.398610:747 >>>>>>>>>>>>>>>> 6,69.070260:2.981e+004,71.0687 >>>>>>>>>>>>>>>> 60:7072,71.847320:6862,73.0845 >>>>>>>>>>>>>>>> 10:1.178e+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. >>>>>>>>>>>>>>>> 129850:4876,157.133100:3.958e+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+004, >>>>>>>>>>>>>>>> 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%2 >>>>>>>>>>>>>>>> 0%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+0 >>>>>>>>>>>>>>>> 04,529.344060:9.373e+004,642.4 >>>>>>>>>>>>>>>> 28220:8.514e+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+004,268.1653 >>>>>>>>>>>>>>>> 40:9687,408.559200:2663,511.335450:1.032e+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 [email protected] >>>>>>>>>>>>>>> . >>>>>>>>>>>>>>> To post to this group, send email to >>>>>>>>>>>>>>> [email protected]. >>>>>>>>>>>>>>> Visit this group at https://groups.google.com/grou >>>>>>>>>>>>>>> p/spctools-discuss. >>>>>>>>>>>>>>> For more options, visit https://groups.google.com/d/optout. >>>>>>>>>>>>>>> >>>>>>>>>>>>>> >>>>>>>>>>>>>> -- >>>>>>>>>>>>> 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 [email protected]. >>>>>>>>>>>>> To post to this group, send email to >>>>>>>>>>>>> [email protected]. >>>>>>>>>>>>> Visit this group at https://groups.google.com/grou >>>>>>>>>>>>> p/spctools-discuss. >>>>>>>>>>>>> For more options, visit https://groups.google.com/d/optout. >>>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> -- >>>>>>>>>>> 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 [email protected]. >>>>>>>>>>> To post to this group, send email to >>>>>>>>>>> [email protected]. >>>>>>>>>>> Visit this group at https://groups.google.com/grou >>>>>>>>>>> p/spctools-discuss. >>>>>>>>>>> For more options, visit https://groups.google.com/d/optout. >>>>>>>>>>> >>>>>>>>>> >>>>>>>>>> -- >>>>>>>> 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 [email protected]. >>>>>>>> To post to this group, send email to [email protected]. >>>>>>>> Visit this group at https://groups.google.com/grou >>>>>>>> p/spctools-discuss. >>>>>>>> For more options, visit https://groups.google.com/d/optout. >>>>>>>> >>>>>>> >>>>>>> -- >>>>>> 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 [email protected]. >>>>>> To post to this group, send email to [email protected]. >>>>>> Visit this group at https://groups.google.com/group/spctools-discuss. >>>>>> For more options, visit https://groups.google.com/d/optout. >>>>>> >>>>> -- >>>> 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 [email protected]. >>>> To post to this group, send email to [email protected]. >>>> Visit this group at https://groups.google.com/group/spctools-discuss. >>>> For more options, visit https://groups.google.com/d/optout. >>>> >>> >>> -- >> 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 [email protected]. >> To post to this group, send email to [email protected]. >> Visit this group at https://groups.google.com/group/spctools-discuss. >> For more options, visit https://groups.google.com/d/optout. >> > > -- 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 [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/spctools-discuss. For more options, visit https://groups.google.com/d/optout.
