<?xml version="1.0" encoding="UTF-8"?>
<config>
  <label_type labeling="false" />
  <params>
    <scan_type>MS</scan_type>
    <extract_method>1</extract_method>
    <mass_accuracy unit="ppm">10</mass_accuracy>
    <max_win>300</max_win>
    <avg_interval>3</avg_interval>
    <peak_margin>10</peak_margin>
    <area_threshold>0.95</area_threshold>
    <alignment align="false">
      <band_con>500</band_con>
      <align_type>Peak Profile</align_type>
      <based_on_id type="peakarea" database_file="/path/to/your/db_folder/my_db.fasta">true</based_on_id>
    </alignment>
  </params>
  <sample>
    <name>exp1</name>
    <ms_files>
      <file>/path/to/your/exp1/*.ms1</file>
     </ms_files>
  </sample>
  <sample>
    <name>exp2</name>
    <ms_files>
      <file>/path/to/your/exp2/*.ms1</file>
    </ms_files>
  </sample>
  <sample>
    <name>exp3</name>
    <ms_files>
      <file>/path/to/your/exp3/*.ms1</file>
    </ms_files>
  </sample>
  <element_comp>
    <each_sample>
      <residue name="A">
        <ele_C>3</ele_C>
        <ele_H>5</ele_H>
        <ele_O>1</ele_O>
        <ele_N>1</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="C">
        <ele_C>5</ele_C>
        <ele_H>8</ele_H>
        <ele_O>2</ele_O>
        <ele_N>2</ele_N>
        <ele_S>1</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="D">
        <ele_C>4</ele_C>
        <ele_H>5</ele_H>
        <ele_O>3</ele_O>
        <ele_N>1</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="E">
        <ele_C>5</ele_C>
        <ele_H>7</ele_H>
        <ele_O>3</ele_O>
        <ele_N>1</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="F">
        <ele_C>9</ele_C>
        <ele_H>9</ele_H>
        <ele_O>1</ele_O>
        <ele_N>1</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="G">
        <ele_C>2</ele_C>
        <ele_H>3</ele_H>
        <ele_O>1</ele_O>
        <ele_N>1</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="H">
        <ele_C>6</ele_C>
        <ele_H>7</ele_H>
        <ele_O>1</ele_O>
        <ele_N>3</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="I">
        <ele_C>6</ele_C>
        <ele_H>11</ele_H>
        <ele_O>1</ele_O>
        <ele_N>1</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="K">
        <ele_C>6</ele_C>
        <ele_H>12</ele_H>
        <ele_O>1</ele_O>
        <ele_N>2</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="L">
        <ele_C>6</ele_C>
        <ele_H>11</ele_H>
        <ele_O>1</ele_O>
        <ele_N>1</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="M">
        <ele_C>5</ele_C>
        <ele_H>9</ele_H>
        <ele_O>1</ele_O>
        <ele_N>1</ele_N>
        <ele_S>1</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="N">
        <ele_C>4</ele_C>
        <ele_H>6</ele_H>
        <ele_O>2</ele_O>
        <ele_N>2</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="P">
        <ele_C>5</ele_C>
        <ele_H>7</ele_H>
        <ele_O>1</ele_O>
        <ele_N>1</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="Q">
        <ele_C>5</ele_C>
        <ele_H>8</ele_H>
        <ele_O>2</ele_O>
        <ele_N>2</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="R">
        <ele_C>6</ele_C>
        <ele_H>12</ele_H>
        <ele_O>1</ele_O>
        <ele_N>4</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="S">
        <ele_C>3</ele_C>
        <ele_H>5</ele_H>
        <ele_O>2</ele_O>
        <ele_N>1</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="T">
        <ele_C>4</ele_C>
        <ele_H>7</ele_H>
        <ele_O>2</ele_O>
        <ele_N>1</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="V">
        <ele_C>5</ele_C>
        <ele_H>9</ele_H>
        <ele_O>1</ele_O>
        <ele_N>1</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="W">
        <ele_C>11</ele_C>
        <ele_H>10</ele_H>
        <ele_O>1</ele_O>
        <ele_N>2</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="Y">
        <ele_C>9</ele_C>
        <ele_H>9</ele_H>
        <ele_O>2</ele_O>
        <ele_N>1</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="NTERM">
        <ele_C>0</ele_C>
        <ele_H>1</ele_H>
        <ele_O>0</ele_O>
        <ele_N>0</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="CTERM">
        <ele_C>0</ele_C>
        <ele_H>1</ele_H>
        <ele_O>1</ele_O>
        <ele_N>0</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="*">
        <ele_C>0</ele_C>
        <ele_H>0</ele_H>
        <ele_O>0</ele_O>
        <ele_N>0</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="#">
        <ele_C>0</ele_C>
        <ele_H>0</ele_H>
        <ele_O>0</ele_O>
        <ele_N>0</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
      <residue name="@">
        <ele_C>0</ele_C>
        <ele_H>0</ele_H>
        <ele_O>0</ele_O>
        <ele_N>0</ele_N>
        <ele_S>0</ele_S>
        <ele_P>0</ele_P>
        <ele_15N>0</ele_15N>
        <ele_2H>0</ele_2H>
        <ele_13C>0</ele_13C>
      </residue>
    </each_sample>
  </element_comp>
</config>

