XSD schema upgraded to validate natural isotope results: tested OK

src/lib/monitors/masschroqWriter.cpp

@@ -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

@@ -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>