Galaxy |

msPurity.createDatabase tool metadata

Miscellaneous

Name: msPurity.createDatabase

Description: Create and SQLite database of an LC-MS(/MS) experiment

Id: mspurity_createdatabase

Guid: toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createdatabase/mspurity_createdatabase/1.12.2+galaxy2

Version: 1.12.2+galaxy2

Version command string: None

Display in tool panel: True

Version lineage of this tool (guids ordered most recent to oldest)

toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createdatabase/mspurity_createdatabase/1.12.2+galaxy3

toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createdatabase/mspurity_createdatabase/1.12.2+galaxy2 (this tool)

toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createdatabase/mspurity_createdatabase/1.12.2+galaxy1

toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createdatabase/mspurity_createdatabase/1.12.2+galaxy0

toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createdatabase/mspurity_createdatabase/1.12.0+galaxy1

toolshed.g2.bx.psu.edu/repos/computational-metabolomics/mspurity_createdatabase/mspurity_createdatabase/1.12.0+galaxy0

mspurity_createdatabase

Requirements (dependencies defined in the <requirements> tag set)

Requirements:

name

version

type

bioconductor-mspurity

1.12.2

package

bioconductor-camera

1.42.0

package

bioconductor-xcms

3.8.0

package

bioconductor-mspuritydata

1.14.0

package

r-optparse

1.6.4

package

r-rpostgres

1.1.1

package

r-rmysql

0.10.17

package

Functional tests

name

inputs

outputs

required files

Test-1

xset_xa: xset_group_LCMS_1_LCMS_2_LCMSMS_1_LCMSMS_2.RData
file_load_conditional|file_load_select: yes
pa: averageFragSpectra_output_all.RData
camera_xcms: xcms
file_load_conditional|input: list collection

attributes: name

xset_group_LCMS_1_LCMS_2_LCMSMS_1_LCMSMS_2.RData
averageFragSpectra_output_all.RData
LCMS_1.mzML
LCMS_2.mzML
LCMSMS_1.mzML
LCMSMS_2.mzML
name

Test-2

xset_xa: xset_group_LCMS_1_LCMS_2_LCMSMS_1_LCMSMS_2.RData
eic: True
pa: averageFragSpectra_output_all.RData
file_load_conditional|input: list collection
file_load_conditional|file_load_select: yes
camera_xcms: xcms

attributes: name

xset_group_LCMS_1_LCMS_2_LCMSMS_1_LCMSMS_2.RData
averageFragSpectra_output_all.RData
LCMS_1.mzML
LCMS_2.mzML
LCMSMS_1.mzML
LCMSMS_2.mzML
name