Commit 1cc1e57d authored by Olivier Langella's avatar Olivier Langella
Browse files

XSD schema upgraded to validate natural isotope results: tested OK

parent cc249141
......@@ -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";
......
......@@ -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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