writing xic extraction range in mcq file

src/gui/export/export_masschroq_dialog/exportmasschroqdialog.cpp

@@ -102,6 +102,8 @@ ExportMasschroqDialog::setMasschroqFileParameters(
   ui->ms2TendencySpinBox->setValue(params.ms2_tendency_half_window);
   ui->ms2SmoothingSpinBox->setValue(params.ms2_smoothing_half_window);
   ui->ms1SmoothingSpinBox->setValue(params.ms1_smoothing_half_window);
+  
+  ui->xicRangeWidget->setPrecision(params.xic_extraction_range);
 }
 
 
@@ -132,6 +134,8 @@ ExportMasschroqDialog::getMasschroqFileParameters() const
   params.ms2_tendency_half_window  = ui->ms2TendencySpinBox->value();
   params.ms2_smoothing_half_window = ui->ms2SmoothingSpinBox->value();
   params.ms1_smoothing_half_window = ui->ms1SmoothingSpinBox->value();
+  
+  params.xic_extraction_range = ui->xicRangeWidget->getPrecision();
   return params;
 }
 

src/gui/export/export_masschroq_dialog/masschroqfileparameters.cpp

@@ -61,6 +61,10 @@ MasschroqFileParameters::save() const
                     ms2_smoothing_half_window);
   settings.setValue("export_masschroqml/ms1_smoothing_half_window",
                     ms1_smoothing_half_window);
+
+
+  settings.setValue("export_masschroqml/xic_extraction_range",
+                    xic_extraction_range->toString());
 }
 void
 MasschroqFileParameters::load()
@@ -112,4 +116,8 @@ MasschroqFileParameters::load()
   ms1_smoothing_half_window =
     settings.value("export_masschroqml/ms1_smoothing_half_window", "0")
       .toUInt();
+
+  xic_extraction_range = pappso::Precision::fromString(
+    settings.value("export_masschroqml/xic_extraction_range", "10 ppm")
+      .toString());
 }

src/gui/export/export_masschroq_dialog/masschroqfileparameters.h

@@ -32,6 +32,7 @@
 
 #include "../../../utils/types.h"
 #include <QString>
+#include <pappsomspp/mass_range.h>
 
 struct MasschroqFileParameters
 {
@@ -54,4 +55,6 @@ struct MasschroqFileParameters
   unsigned int ms2_tendency_half_window;
   unsigned int ms2_smoothing_half_window;
   unsigned int ms1_smoothing_half_window;
+  
+  pappso::PrecisionP xic_extraction_range;
 };

src/output/masschroqml.cpp

@@ -305,9 +305,22 @@ MassChroQml::writeQuantificationMethods()
 
 
   _output_stream->writeComment("For XIC extraction on Da use: mz_range");
-  _output_stream->writeStartElement("ppm_range");
-  _output_stream->writeAttribute("min", "10");
-  _output_stream->writeAttribute("max", "10");
+  if(m_params.xic_extraction_range->getUnit() == pappso::PrecisionUnit::ppm)
+    {
+      _output_stream->writeStartElement("ppm_range");
+    }
+  if(m_params.xic_extraction_range->getUnit() == pappso::PrecisionUnit::dalton)
+    {
+      _output_stream->writeStartElement("dalton_range");
+    }
+  else
+    {
+        //error
+    }
+  _output_stream->writeAttribute(
+    "min", QString("%1").arg(m_params.xic_extraction_range->getValue()));
+  _output_stream->writeAttribute(
+    "max", QString("%1").arg(m_params.xic_extraction_range->getValue()));
   _output_stream->writeEndElement();
   //</xic_extraction>
   _output_stream->writeEndElement();