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Maintenance - Mise à jour mensuelle Lundi 6 Février entre 7h00 et 9h00
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PAPPSO
MassChroQ
Commits
1cc1e57d
Commit
1cc1e57d
authored
Jul 13, 2016
by
Olivier Langella
Browse files
XSD schema upgraded to validate natural isotope results: tested OK
parent
cc249141
Changes
2
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src/lib/monitors/masschroqWriter.cpp
View file @
1cc1e57d
...
...
@@ -298,7 +298,6 @@ MasschroqWriter::debriefing()
qDebug
()
<<
"MasschroqWriter::debriefing begin"
;
_output_stream
->
writeEndElement
();
// </results>
_output_stream
->
writeStartElement
(
"summary"
);
QString
mcq_version
(
MASSCHROQ_VERSION
);
_output_stream
->
writeAttribute
(
"masschroq_version"
,
mcq_version
);
...
...
@@ -323,6 +322,7 @@ MasschroqWriter::debriefing()
_output_stream
->
writeAttribute
(
"duration"
,
xml_duration_format
);
_output_stream
->
writeEndElement
();
// </execution_time>
_output_stream
->
writeEndElement
();
// </summary>
_output_stream
->
writeEndElement
();
// </results>
_output_stream
->
writeEndDocument
();
_output_file
->
close
();
qDebug
()
<<
"MasschroqWriter::debriefing end"
;
...
...
src/resources/schema/masschroq-2.2.xsd
View file @
1cc1e57d
...
...
@@ -1369,6 +1369,34 @@
</xs:documentation>
</xs:annotation>
</xs:attribute>
<xs:attribute
name=
"ninumber"
type=
"xs:integer"
>
<xs:annotation>
<xs:documentation>
If this quanti_item is a peptide, references its natural isotope number.
</xs:documentation>
</xs:annotation>
</xs:attribute>
<xs:attribute
name=
"nirank"
type=
"xs:integer"
>
<xs:annotation>
<xs:documentation>
If this quanti_item is a peptide, references its natural isotope rank.
The rank depends on the precision given to extract XIC.
Each C, O, N, H isotopes has a mass delta slightly different.
This leads to different masses for the same isotope number.
If the precision given to extract XIC is precise enough, the rank is the order in which the different isotopes masses can be found.
the rank always begins at 1.
Bigger number are for isotopes that are less abundant and that regroups isotopes in this precision neigbhorhood.
</xs:documentation>
</xs:annotation>
</xs:attribute>
<xs:attribute
name=
"niratio"
type=
"xs:double"
>
<xs:annotation>
<xs:documentation>
If this quanti_item is a peptide, references its natural isotope ratio.
This a theoretical ratio, computed using natural abundance of C, O, N, H isotopes and from the exact chemical formula of the peptide
</xs:documentation>
</xs:annotation>
</xs:attribute>
<xs:attribute
name=
"mz"
type=
"xs:double"
>
<xs:annotation>
<xs:documentation>
...
...
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