Closed cpanse closed 5 years ago
Hi @cpanse
Thanks for submitting your package. We are taking a quick look at it and you will hear back from us soon.
The DESCRIPTION file for this package is:
Package: tartare
Type: Package
Title: Raw ground spectra recorded on Thermo Fisher Scientific mass
spectrometers
Version: 0.0.1
Authors@R: c(person(given = "Christian", family = "Panse",
email = "cp@fgcz.ethz.ch", role = c("aut", "cre"),
comment = c(ORCID = "0000-0003-1975-3064")),
person(given = "Tobias", family = "Kockmann",
email = "Tobias.Kockmann@fgcz.ethz.ch", role = "aut",
comment = c(ORCID = "0000-0002-1847-885X")))
Depends: R (>= 3.6),
AnnotationHub (>= 2.16),
ExperimentHub (>= 1.0)
Imports:
utils
Suggests:
knitr,
testthat
Description: provides raw files (size=215MBytes)recorded on different Liquid
Chromatography Mass Spectrometry (LC-MS) instruments. All included MS
instruments are manufactured by Thermo Fisher Scientific and belong to the
Orbitrap Tribrid or Q Exactive Orbitrap family of instruments. Despite their
common origin and shared hardware components (e.g. Orbitrap mass analyser),
the above instruments tend to write data in different "dialects" in a shared
binary file format (.raw). The intention behind tartare is to provide complex
but slim real-world files that can be used to make code robust with respect
to this diversity. In other words, it is intended for enhanced unit testing.
The package is considered to be used with the
rawDiag package (Trachsel, 2018 <doi:10.1021/acs.jproteome.8b00173>) and the
Spectra MsBackends.
URL: https://github.com/cpanse/tartare
BugReports: https://github.com/cpanse/tartare/issues
Encoding: UTF-8
NeedsCompilation: no
biocViews: ExperimentData, MassSpectrometryData
RoxygenNote: 6.1.1
License: GPL-3
VignetteBuilder: knitr
Collate:
'zzz.R'
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@lshep, I continue once all metadata are available through ExperimentHub()
. Am I on the right track?
R> library(ExperimentHub)
R> eh <- ExperimentHub();
snapshotDate(): 2019-09-25
R> query(eh, "tartare")
ExperimentHub with 0 records
# snapshotDate(): 2019-09-25
R>
Yes I will be working on uploading the data later today. sorry for the dealy
Hey a few issues before the data can be added - could you please make the following changes metadata.csv
package description:
Received a valid push; starting a build. Commits are:
7744cae metadata.csv [x] Please have some distinguishing ...
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Received a valid push; starting a build. Commits are:
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https://github.com/Bioconductor/Contributions/issues/1286#issuecomment-543235759
@lshep done by commit 7744cae.
When I run the following I get an ERROR (this function is used to add the data to the database)
> meta = makeExperimentHubMetadata("tartare/")
missing or NA values for 'Coordinate_1_based set to TRUE'
Loading valid species information.
Error in .checkThatSourceTypeSoundsReasonable(object@SourceType) :
'SourceType' should be one of: BAI, BAM, BED, BigWig, BioPax, BioPaxLevel2, BioPaxLevel3, CEL, Chain, CSV, ensembl, FASTA, FASTQ, FCS, GFF, GRASP, GTF, HDF5, IDAT, Inparanoid, JSON, MTX, MySQL, mzid, mzML, mzTab, mzXML, NCBI/blast2GO, NCBI/ensembl, NCBI/UniProt, RDA, RData, Simulated, tab, tar.gz, TSV, TwoBit, TXT, UCSC track, VCF, XLS/XLSX, Zip.
Found type: raw
Is there a different sourcetype in the list that would be appropriate rather than raw
?
@lshep This is a proprietary file format (consider it as a binary large object (BLOB)). We are going to read the file format by using the MsBackendRawfileReader and the Spectra packages in the near future.
Ok. I will add BLOB as an acceptable SourceType - could you update your metadata to reflect that please?
I updated on my end to be BLOB for the raw files and added the data to the hubs. It is now accessible using Bioc devel 3.10. Please update any necessary code and comment back here when you are ready for a review.
eh = ExperimentHub()
|======================================================================| 100%
snapshotDate(): 2019-10-18
> query(eh, "tartare")
ExperimentHub with 4 records
# snapshotDate(): 2019-10-18
# $dataprovider: Functional Genomics Center Zurich (FGCZ)
# $species: NA
# $rdataclass: Spectra
# additional mcols(): taxonomyid, genome, description,
# coordinate_1_based, maintainer, rdatadateadded, preparerclass, tags,
# rdatapath, sourceurl, sourcetype
# retrieve records with, e.g., 'object[["EH3219"]]'
title
EH3219 | Q Exactive HF-X mzXML
EH3220 | Q Exactive HF-X raw
EH3221 | Fusion Lumos mzXML
EH3222 | Fusion Lumos raw
> path = query(eh, "tartare")[[1]]
downloading 1 resources
retrieving 1 resource
|======================================================================| 100%
> path
EH3219 : 3235
"/home/lori/.cache/ExperimentHub/5f314cca58e3_3235"
@lshep so I replace 'raw' by 'BLOB'? C
Yes please. Then update your code to use the ExperimentHub. When you are ready for a review just tag me again and I'll have a look at the underlying code of the package. Cheers
@lshep For whatsoever reason, the file 203c51cb0c6f_3237 seems to be corrupt on the AWS. Maybe my upload got interrupted.
cp@fgcz-113:~/__checkouts/R/tartare (master)> md5 /Users/cp/Library/Caches/ExperimentHub/203c51cb0c6f_3237
MD5 (/Users/cp/Library/Caches/ExperimentHub/203c51cb0c6f_3237) = a4bf6ecb8adcd28ea07a034483aa1d5e
also tail -n 1 /Users/cp/Library/Caches/ExperimentHub/203c51cb0c6f_3237
looks like a incomplete mzXML file. Sorry for the trouble. C
I'm not sure how big the files are suppose to be. The file sizes we currently have
> getInfoOnIds(eh, paste0("EH", c(3219:3222)))
ah_id fetch_id title rdataclass status biocversion
3089 EH3219 3235 Q Exactive HF-X mzXML Spectra Public 3.10
3090 EH3220 3236 Q Exactive HF-X raw Spectra Public 3.10
3091 EH3221 3237 Fusion Lumos mzXML Spectra Public 3.10
3092 EH3222 3238 Fusion Lumos raw Spectra Public 3.10
rdatadateadded rdatadateremoved file_size
3089 2019-10-18 <NA> 21295960
3090 2019-10-18 <NA> 34093249
3091 2019-10-18 <NA> 46487407
3092 2019-10-18 <NA> 122609648
If you think it was your session that didn't download correctly you can do a ah("EH3221", force=TRUE)
which will force redownload the file or you can reupload the file to S3 and I will replace it if the file seems to be corrupt there. I believe the credentials I sent you still should be active.
@lshep there must be a 2nd session (after that weekend) where I uploaded one mzXML again. C
I don't have any other data in the S3 folder for tartare. Could you upload again?
@lshep done
cp@fgcz-148:~/tartare > aws --profile AnnotationContributor s3 cp 20190716_004_PierceHeLa.mzXML s3://annotation-contributor/tatare/20190716_004_PierceHeLa.mzXML --acl public-read
upload: ./20190716_004_PierceHeLa.mzXML to s3://annotation-contributor/tatare/20190716_004_PierceHeLa.mzXML
cp@fgcz-148:~/tartare > md5sum 20190716_004_PierceHeLa.mzXML
6f7485fc3b5864bac51a215200a52101 20190716_004_PierceHeLa.mzXML
thanks C
I updated the file on S3 - Please try to access again - The hub should recognize that its a new version of the file and download automatically. let me know if it doesn't
Hopefully that fixed that issue - In an effort to try and get this package into this release please see the other comments concerning your package. Hopefully they can be fixed so this package can be added and released with Bioc 3.9
README
vignette
[ ] Perhaps most of this seems like data preparation and should be in the
inst/scripts
desribing how the data was made. Please move this file to
inst/scripts
[ ] I recommend still having an official vignette tartare.Rmd
It is much
more intuitive for a user to do vignette("tartare")
that shows the
ExperimentHub commands to download and access data
R / man
[ ] I think you should be very explicit that running the getFilename will download the files associate with the package. So the users are aware there will be a download.
[ ] Please create a different R file to contain package code zzz.R
file is
generally only associated with code for onLoad/onAttach
.
general
As it could affect vignette and R/man
exec
.gitignore
this directory. Important for you but
not for anyone else. Cheers
Received a valid push; starting a build. Commits are:
1b1d814 version pump
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Your package has been built on Linux, Mac, and Windows.
On one or more platforms, the build results were: "skipped, ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.
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Dear Package contributor,
This is the automated single package builder at bioconductor.org.
Your package has been built on Linux, Mac, and Windows.
On one or more platforms, the build results were: "WARNINGS, ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.
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Received a valid push; starting a build. Commits are:
b62e77b version inc
Dear Package contributor,
This is the automated single package builder at bioconductor.org.
Your package has been built on Linux, Mac, and Windows.
On one or more platforms, the build results were: "WARNINGS". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.
Please see the build report for more details.
Hopefully that fixed that issue - In an effort to try and get this package into this release please see the other comments concerning your package. Hopefully they can be fixed so this package can be added and released with Bioc 3.9
yes it fixed the md5 issue. thanks!
README
* [x] (optional) include Bioconductor installation instructions.
DONE
vignette
* [ ] Perhaps most of this seems like data preparation and should be in the `inst/scripts` desribing how the data was made. Please move this file to `inst/scripts`
most of the things are instrument configurations
* [ ] I recommend still having an official vignette `tartare.Rmd` It is much more intuitive for a user to do `vignette("tartare")` that shows the ExperimentHub commands to download and access data
fully agree the instrument setups are the most important part.
R / man
* [x ] I think you should be very explicit that running the getFilename will download the files associate with the package. So the users are aware there will be a download.
done
* [x ] Please create a different R file to contain package code `zzz.R` file is generally only associated with code for `onLoad/onAttach`.
right; done
general
As it could affect vignette and R/man
* [ ] Would there be a usecase to show the file names associated with this without downloading?
the package is meant to be used together with the Spectra and MsBackendRawfilereader. I added a picture in the README @jorainer presented today on the #SWEMSA conference.
exec
* [x] Please remove and then `.gitignore` this directory. Important for you but not for anyone else.
DONE
Cheers
Iam going to fix the warnings later today.
best wishes,C
Awesome. I'll wait for the final corrections of the warnings but I don't see anything else preventing acceptance.
Hang tight - we are experiencing some delay with the builder. We are in the process of fixing it.
Dear Package contributor,
This is the automated single package builder at bioconductor.org.
Your package has been built on Linux, Mac, and Windows.
On one or more platforms, the build results were: "WARNINGS, ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.
Please see the build report for more details.
Received a valid push; starting a build. Commits are:
434709c windows warnings and version inc
Dear Package contributor,
This is the automated single package builder at bioconductor.org.
Your package has been built on Linux, Mac, and Windows.
Congratulations! The package built without errors or warnings on all platforms.
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Awesome. I'll wait for the final corrections of the warnings but I don't see anything else preventing acceptance.
DONE. no more warnings. thanks. C
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