msPurity spectral database schema
Thomas N. Lawson
2020-03-26
1
Spectral database schema
spectral-database
spectral-database-schema
by DbSchema
1
spectral-database
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Base
XCMS
Fk Fk_c_peak_X_s_peak_meta c_peak_X_s_peak_meta ref c_peaks ( cid )
cid
Fk Fk_c_peak_X_s_peak_meta c_peak_X_s_peak_meta ref s_peak_meta ( pid )
pid
Fk Fk_s_peak_meta s_peak_meta ref fileinfo ( fileid )
fileid
Fk fk_s_peak_meta_source s_peak_meta ref source ( souceid -> id )
souceid
Fk fk_s_peak_meta_metab_compound s_peak_meta ref metab_compound ( inchikey_id )
inchikey_id
Fk Fk_s_peaks s_peaks ref s_peak_meta ( pid )
pid
Fk Fk_c_peak_X_c_peak_group c_peak_X_c_peak_group ref c_peak_groups ( grpid )
grpid
Fk Fk_c_peak_X_c_peak_group c_peak_X_c_peak_group ref c_peaks ( cid )
cid
c_peaks
Table Default.c_peaks
Pk pk_c_peaks ( cid )
cid
cid * integer
Referred by c_peak_X_c_peak_group ( cid ) Referred by c_peak_X_s_peak_meta ( cid )
mz
mz real
#
mzmin
mzmin real
#
mzmax
mzmax real
#
rt
rt real
#
rtmin
rtmin real
#
rtmax
rtmax real
#
_into
_into real
#
intf
intf real
#
maxo
maxo real
#
maxf
maxf real
#
sn
sn real
#
fileid
fileid integer
References fileinfo ( fileid )
source
Table Default.source
Pk pk_source ( id )
id
id * integer
Referred by s_peak_meta ( souceid -> id )
name
name text
t
parsing_software
parsing_software text
t
metab_compound
Table Default.metab_compound
Pk pk_metab_compound ( inchikey_id )
inchikey_id
inchikey_id * integer
Referred by s_peak_meta ( inchikey_id )
name
name text
t
pubchem_id
pubchem_id real
#
chemspider_id
chemspider_id real
#
other_names
other_names text
t
exact_mass
exact_mass real
#
molecular_formula
molecular_formula text
t
molecular_weight
molecular_weight real
#
compound_class
compound_class text
t
smiles
smiles text
t
created_at
created_at text
t
updated_at
updated_at text
t
c_peak_X_s_peak_meta
Table Default.c_peak_X_s_peak_meta
Pk pk_c_peak_X_s_peak_meta ( cXp_id )
cXp_id
cXp_id * integer
#
pid
pid integer
References s_peak_meta ( pid )
cid
cid integer
References c_peaks ( cid )
s_peak_meta
Table Default.s_peak_meta
Pk pk_s_peak_meta ( pid )
pid
pid * integer
Referred by c_peak_X_s_peak_meta ( pid ) Referred by s_peaks ( pid )
seqNum
seqNum real
#
acquisitionNum
acquisitionNum real
#
precursorIntensity
precursorIntensity real
#
precursorScanNum
precursorScanNum real
#
retentionTime
retentionTime real
#
precursorNearest
precursorNearest real
#
aMz
aMz real
#
aPurity
aPurity real
#
apkNm
apkNm real
#
iMz
iMz real
#
iPurity
iPurity real
#
ipkNm
ipkNm real
#
inPkNm
inPkNm real
#
inPurity
inPurity real
#
purity_pass_flag
purity_pass_flag text
t
name
name text
t
collision_energy
collision_energy text
t
ms_level
ms_level text
t
accession
accession text
t
resolution
resolution text
t
polarity
polarity text
t
fragmentation_type
fragmentation_type text
t
precursor_type
precursor_type text
t
instrument_type
instrument_type text
t
instrument
instrument text
t
copyright
copyright text
t
column
column text
t
mass_accuracy
mass_accuracy text
t
mass_error
mass_error text
t
origin
origin text
t
splash
splash text
t
retention_index
retention_index text
t
retention_time
retention_time real
#
inchikey_id
inchikey_id text
References metab_compound ( inchikey_id )
souceid
souceid real
References source ( souceid -> id )
precursor_mz
precursor_mz real
#
spectrum_type
spectrum_type text
t
grpid
grpid text
t
fileid
fileid integer
References fileinfo ( fileid )
--more--
c_peak_groups
Table Default.c_peak_groups
Pk pk_c_peak_groups ( grpid )
grpid
grpid * integer
Referred by c_peak_X_c_peak_group ( grpid ) Referred by s_peaks ( grpid )
mz
mz real
#
mzmin
mzmin real
#
mzmax
mzmax real
#
rt
rt real
#
rtmin
rtmin real
#
rtmax
rtmax real
#
npeaks
npeaks real
#
grp_name
grp_name text
t
--more--
fileinfo
Table Default.fileinfo
Pk pk_fileinfo ( fileid )
fileid
fileid * integer
Referred by c_peaks ( fileid ) Referred by s_peak_meta ( fileid )
filename
filename text
t
filepth
filepth text
t
nm_save
nm_save text
t
class
class text
t
s_peaks
Table Default.s_peaks
Pk pk_s_peaks ( sid )
sid
sid * integer
#
fileid
fileid real
#
mz
mz real
#
i
i real
#
snr
snr real
#
ra
ra real
#
type
type text
t
ra_pass_flag
ra_pass_flag text
t
snr_pass_flag
snr_pass_flag text
t
pass_flag
pass_flag text
t
scan
scan text
t
purity_pass_flag
purity_pass_flag text
t
intensity_pass_flag
intensity_pass_flag text
t
cl
cl real
#
rsd
rsd real
#
count
count real
#
total
total real
#
inPurity
inPurity real
#
frac
frac real
#
minnum_pass_flag
minnum_pass_flag text
t
minfrac_pass_flag
minfrac_pass_flag text
t
grpid
grpid integer
References c_peak_groups ( grpid )
pid
pid integer
References s_peak_meta ( pid )
c_peak_X_c_peak_group
Table Default.c_peak_X_c_peak_group
Pk pk_c_peak_X_c_peak_group ( cXg_id )
cXg_id
cXg_id * integer
#
idi
idi real
#
bestpeak
bestpeak real
#
grpid
grpid integer
References c_peak_groups ( grpid )
cid
cid integer
References c_peaks ( cid )