diff --git a/inst/extdata/sample.mzXML b/inst/extdata/sample.mzXML
new file mode 100644
index 0000000..177791e
--- /dev/null
+++ b/inst/extdata/sample.mzXML
@@ -0,0 +1,12026 @@
+<?xml version="1.0" encoding="ISO-8859-1"?>
+<mzXML xmlns="http://sashimi.sourceforge.net/schema_revision/mzXML_3.2"
+       xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+       xsi:schemaLocation="http://sashimi.sourceforge.net/schema_revision/mzXML_3.2 http://sashimi.sourceforge.net/schema_revision/mzXML_3.2/mzXML_idx_3.2.xsd">
+  <msRun scanCount="574" startTime="PT0.0971851S" endTime="PT47.0594S">
+    <parentFile fileName="file:///C:\FGCZ\fcc/sample.raw"
+                fileType="RAWData"
+                fileSha1="109b50d7afde86c3671a776f7d0b3a1336f3885f"/>
+    <msInstrument msInstrumentID="1">
+      <msManufacturer category="msManufacturer" value="Thermo Scientific"/>
+      <msModel category="msModel" value="Q Exactive"/>
+      <msIonisation category="msIonisation" value="nanoelectrospray"/>
+      <msMassAnalyzer category="msMassAnalyzer" value="quadrupole"/>
+      <msDetector category="msDetector" value="inductive detector"/>
+      <software type="acquisition" name="Xcalibur" version="2.9-290033/2.9.0.2926"/>
+    </msInstrument>
+    <dataProcessing>
+      <software type="conversion" name="ProteoWizard software" version="3.0.10200"/>
+      <processingOperation name="Conversion to mzML"/>
+    </dataProcessing>
+    <scan num="1"
+          scanType="Full"
+          centroided="1"
+          msLevel="1"
+          peaksCount="738"
+          polarity="+"
+          retentionTime="PT0.0971851S"
+          lowMz="352.236724853516"
+          highMz="1646.703369140625"
+          basePeakMz="445.1180759"
+          basePeakIntensity="5.9793075e06"
+          totIonCurrent="7.8725448e07">
+      <peaks compressionType="zlib"
+             compressedLen="6205"
+             precision="64"
+             byteOrder="network"
+             contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="2"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="15"
+          polarity="+"
+          retentionTime="PT0.350367S"
+          collisionEnergy="28.0"
+          lowMz="151.774963378906"
+          highMz="884.802734375"
+          basePeakMz="303.4641964"
+          basePeakIntensity="9080.0615"
+          totIonCurrent="41040.953000000001">
+      <precursorMz precursorScanNum="1" precursorIntensity="0" precursorCharge="2" activationMethod="HCD" windowWideness="1.399999976158">487.2567</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="164"
+             precision="64"
+             byteOrder="network"
+             contentType="m/z-int">eJxzSPpxpoGBgcFhzt0zCiA6J3A2mJ5fZ3EARBeUXoPwLTclgPlzriwA0XNPdT0A0YUR5yH8Zj6wfNEiN4h54eEMILrYYDNYfp7UQrD6MgU2MD3vSBRYfdWLX2Dz5/0+7wCiGwUMoe7phfA37gDTi1hugtW17vsCll/2ixNsfsfjrWDzl831BJvXFcsEdvei9sNg8e5lOWB1C6ckg8wBAClkRQs=</peaks>
+    </scan>
+    <scan num="3"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="18"
+          polarity="+"
+          retentionTime="PT0.419361S"
+          collisionEnergy="28.0"
+          lowMz="141.207916259766"
+          highMz="1165.270629882813"
+          basePeakMz="303.4530645"
+          basePeakIntensity="9849.2744"
+          totIonCurrent="53556.811999999998">
+      <precursorMz precursorScanNum="1" precursorIntensity="6594.630859375" precursorCharge="2" activationMethod="HCD" windowWideness="1.399999976158">644.8226</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="198"
+             precision="64"
+             byteOrder="network"
+             contentType="m/z-int">eJxzSFy23IGBgcFhobHHAxCd4jSzAUTPOfMMTKdOerQARC+QP6MAorOTtcDi8w/Ug+nS2kyw+MI18QwgukxBNAHMD9c9AKJrnoWD1S1Knw62p3nVSgj/2Hsw3brnJlj9IqsHYP2te0PB9Po/+WC67RsTWH5Bzy6wO9rNPMH8eTkiYPd2PGEHm7NGNAAs32l8AkzPv7EGLN/5/hnYnPkODmB+f94PsDsWb+UA65vgaAN2/8o/58H8SaaiYP6i2A6QOgAAhFCf</peaks>
+    </scan>
+    <scan num="4"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="26"
+          polarity="+"
+          retentionTime="PT0.488986S"
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