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// --------------------------------------------------------------------------
// OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2018.
//
// This software is released under a three-clause BSD license:
// * Redistributions of source code must retain the above copyright
// notice, this list of conditions and the following disclaimer.
// * Redistributions in binary form must reproduce the above copyright
// notice, this list of conditions and the following disclaimer in the
// documentation and/or other materials provided with the distribution.
// * Neither the name of any author or any participating institution
// may be used to endorse or promote products derived from this software
// without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
// --------------------------------------------------------------------------
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
// --------------------------------------------------------------------------
// $Maintainer: $
// $Authors: Marc Sturm $
// --------------------------------------------------------------------------
//##############################################################################
/**
@page TOPPView_introduction Introduction
TOPPView is a viewer for MS and HPLC-MS data. It can be used to inspect files in mzML, mzData, mzXML
and several other text-based file formats.
In each view, several datasets can be displayed using the layer concept. This allows visual comparison
of several datasets as well as displaying input data and output data of an algorithm together.
TOPPView is intended for visual inspection of the data by experimentalists as well as for
analysis software by developers.
@image html TOPPView_parts.png
@image latex TOPPView_parts.png "" width=14cm
The above example image shows a 2D view of TOPPView (blue rectangle) and the corresponding
@ref TOPPView_modes (red rectangle). In the right dock area, you can see the @ref TOPPView_layers
(yellow rectangle), the @ref TOPPView_browser (magenta rectangle)
and the @ref TOPPView_filtering tool (green rectangle). Switching between open windows
can be done using the tab bar (black rectangle).
@section TOPPView_layers Layers
Each view of TOPPView supports several datasets, called layers. In the @a layer @a manager
(dock window in the upper right corner), layers can be hidden and shown using the check box in front of each layer name.
By clicking on a layer, this layer is selected, which is indicated by a blue background.
The selected layer can be manipulated using the @a Tools menu.
Layers can be copied by dragging them to the tab bar. If the layer is dropped on a tab, it is added
to the corresponding window. If the layer is dropped on the tab bar but not on a tab, a new window
with that layer is added.
@section TOPPView_browser Spectrum browser
The spectra contained in a peak map can be browsed in the @a spectrum @a browser. It displays
a tree view of all spectra in the current layer, where a spectrum with MS level @a n is a child
of the spectrum with MS level @a n - @a 1 that contains its corresponding precursor peak.
For each spectrum in the list, the retention time and (for spectra with MS level > 1) the m/z value of
the precursor peak are also shown.
If a 2D or 3D window is active, double-clicking a spectrum will open it in a new 1D window. If
the active window is a 1D view, the spectra can be browsed and the currently selected spectrum will
be shown.
@section TOPPView_filtering Data filtering
TOPPView allows filtering of the displayed peak data and feature data.
Peak data can be filtered according to intensity and meta data. Meta data
is arbitrary data the peak is annotated with.
Feature data can be filtered according to intensity, charge, quality and
meta data.
Data filters are managed by a dock window.
Filters can be added, removed and edited through the context menu (right button mouse click)
of the data filters window. For convenience, filters can also be
edited by double-clicking them.
@section TOPPView_command_line Command line options
Several files can be opened in one layer from the command line by putting a
'+' character between the file names. The following command opens three
files in three layers of the same window:
@code TOPPView file1.mzML + file2.mzML + file3.mzML@endcode
Without the '+' the files would be opened in three different windows.
The color gradient used to display a file can be changed by adding one of
several '@' commands. The following command opens the file with a white-to-black
gradient:
@code TOPPView file1.mzML @bw@endcode
For more information on command line parameters call:
@code TOPPView --help@endcode
@section TOPPView_help Looking for help?
You can display a short help text for each button and dock window of TOPPView by
clicking on it in @a What's @a this? mode. @a What's @a this? mode can be entered
using the @a Help menu.
@image html TOPPView_help.png
@image latex TOPPView_help.png "" width=12cm
*/
//##############################################################################
/**
@page TOPPView_views The views
TOPPView offers three types of views -- a 1D view for spectra, a 2D view for peak maps and
feature maps, and a 3D view for peak maps. All three views can be freely configured to suit
the individual needs of the user.
@section TOPPView_views_use Basic use
All three views share a similar interface. Three action modes are supported -- one for translation,
one for zooming and one for measuring:
- Translate mode
- It is activated by default
- Move the mouse while holding the mouse button down to translate the current view
- Arrow keys can be used to translate the view without entering translate mode (in 1D-View you can additionally use Shift-key to jump to the next peak)
- Zoom mode
- All previous zoom levels are stored in a zoom history. The zoom history can be traversed using CTRL+/CTRL-
or the mouse wheel (scroll up and down)
- Zooming into the data:
- either mark an area in the current view with your mouse, while holding the left mouse button plus the @em CTRL key to zoom to this area.
- or use your mouse wheel to traverse the zoom history
- if you have reached the end of the history and keep on pressing CTRL+ or scroll up, the current area will be enlarged by a factor of 1.25
- Pressing the @em Backspace key resets the zoom and zoom history
- Measure mode
- It is activated using the @em SHIFT key
- Press the left mouse button down while a peak is selected and drag the mouse to another peak to measure the distance
between peaks
- This mode is implemented in the 1D and 2D mode only
@section TOPPView_views_1d 1D view
The 1D view is used to display raw spectra or peak spectra.
Raw data is displayed using a continuous line. Peak data is displayed using one stick per peak.
The color used for drawing the lines can be set for each layer individually. The 1D view offers
a mirror mode, where the window is vertically divided in halves and individual layers can
be displayed either above or below the "mirror" axis in order to facilitate quick visual comparison
of spectra. When a mirror view is active, it is possible to perform a spectrum alignment of a
spectrum in the upper and one in the lower half, respectively. Moreover, spectra can be annotated
manually. Currently, distance annotations between peaks, peak annotations and simple text
labels are provided.
The following example image shows a 1D view in mirror mode. A theoretical spectrum (lower half) has been
generated using the theoretical spectrum generator (@a Tools > @a Generate @a theoretical @a spectrum ).
The
mirror mode has been activated by right-clicking the layer containing the theoretical spectrum and
selecting @a Flip @a downward from the layer context menu. A spectrum alignment between the two
spectra has been performed (@a Tools > @a Align @a spectra ). It is visualized by the red lines connecting
aligned peaks and can be reset through the context menu. Moreover, in the example, several
distances between abundant peaks have been measured and subsequently replaced by their corresponding
amino acid residue code. This is done by right-clicking a distance annotation and selecting @a Edit
from the context menu. Additionally, peak annotations and text labels have been added by
right-clicking peaks and
selecting @a Add @a peak @a annotation or by right-clicking anywhere and
selecting @a Add @a label, respectively.
Multiple annotations can be selected by holding down the CTRL key while
clicking them. They can be moved around by dragging the mouse and deleted by pressing DEL.
@image html TOPPView_1D.png
@image latex TOPPView_1D.png "" width=12cm
Through the <B>context menu:</B> of the 1D view you can:
<UL>
<LI> View/edit meta data
<LI> Save the current layer data
<LI> Change display settings
<LI> Add peak annotations or arbitrary text labels
<LI> Reset a performed alignment
</UL>
@section TOPPView_views_2d 2D view
The 2D view is used to display peak maps and feature maps in a top-down view with color-coded
intensities. Peaks and feature centroids are displayed as dots. For features, also
the overall convex hull and the convex hulls of individual mass traces can be displayed.
The color gradient used to encode for peak and feature intensities can be set for
each layer individually.
The following example image shows a small section of a peak map and the detected features
in a second layer.
@image html Spectrum2DWidget.png
@image latex Spectrum2DWidget.png "" width=8cm
In addition to the normal top-down view, the 2D view can display the projections
of the data to the m/z and RT axis. This feature is mainly used to assess the quality
of a feature without opening the data region in 3D view.
Through the <B>context menu:</B> of the 2D view you can:
<UL>
<LI> View/edit meta data
<LI> View survey/fragment scans in 1D view
<LI> View survey/fragment scans meta data
<LI> View the currently selected area in 3D view
<LI> Save the current layer data
<LI> Change display settings
</UL>
@section TOPPView_views_3d 3D view
The 3D view can display peak maps only. Its primary use is the closer inspection of a small
region of the map, e.g. a single feature. In the 3D view slight intensity differences are
easier to recognize than in the 2D view.
The color gradient used to encode peak intensities, the width of the lines and the coloring
mode of the peaks can be set for each layer individually.
The following example image shows a small region of a peak map:
@image html Spectrum3DWidget.png
@image latex Spectrum3DWidget.png "" width=8cm
Through the <B>context menu:</B> of the 3D view you can:
<UL>
<LI> View/edit meta data
<LI> Save the current layer data
<LI> Change display settings
</UL>
*/
//##############################################################################
/**
@page TOPPView_modes Display modes and view options
All of the views support several display modes and view options.
Display modes determine how intensities are displayed. View options configure the view.
@image html TOPPView_icons.png
@image latex TOPPView_icons.png "" width=10cm
@section TOPPView_modes_display Display modes
Intensity display modes determine the way peak intensities are displayed.
<UL>
<LI><b>Linear:</b>
@n Normal display mode.
<LI><b>Percentage:</b>
@n In this display mode the intensities of each dataset are normalized with the maximum
intensity of the dataset. This is especially useful in order to visualize several datasets that have
large intensity differences. If only one dataset is opened it corresponds to the normal mode.
<LI><b>Snap to maximum intensity:</b>
@n In this mode the maximum currently displayed intensity is treated as if it was the
maximum overall intensity.
</UL>
@section TOPPView_modes_view View options
View options configure the view of the current layer.
<UL>
<LI><b>1D:</b>
@n Switching between raw data and peak mode.
<LI><b>2D (peaks):</b>
@n MS/MS precursor peaks can be highlighted.
@n Projections to m/z and RT axis can be shown.
<LI><b>2D (features):</b>
@n Overall convex hull of the features can be displayed.
@n Convex hulls of mass traces can be displayed (if available).
@n A feature identifier, consisting of the feature index and an )optional label can be displayed.
<LI><b>2D (consensus):</b>
@n The elements of a consensus feature can be displayed.
<LI><b>3D:</b>
@n Currently there are no options for 3D view.
</UL>
*/
//##############################################################################
/**
@page TOPPView_analysis Data analysis
TOPPView also offers limited data analysis capabilities for single layers, which will
be illustrated in the following sections. The functionality presented here
can be found in the @a Tools menu:
@image html TOPPView_tools_menu.png
@image latex TOPPView_tools_menu.png "" width=6cm
@section TOPPView_tools TOPP tools
Single TOPP tools can be applied to the data of the currently selected layer or to
the visible data of the current layer.
The following example image shows the TOPP tool dialog:
@image html TOPPView_tools.png
@image latex TOPPView_tools.png "" width=8cm
To apply a TOPP tool, do the following:
- Select a TOPP tool and if necessary a type.
- Specify the command line option of the tool, that takes the input file name.
- Specify the command line option of the tool, that takes the output file name.
- Set the algorithm parameters manually or load them from an INI file.
@section TOPPView_metadata Metadata
One can access the meta data the layer is annotated with.
This data comprises e.g. contact person, instrument description and sample description.
@image html MetaDataBrowser.png
@image latex MetaDataBrowser.png "" width=12cm
@note Identification data, e.g. from a Mascot run, can be annotated to the spectra or features,
too. After annotation, this data is listed in the meta data as well.
@section TOPPView_statistics Statistics
Statistics about peak/feature intensities and peak meta information can be displayed.
For intensities, it is possible to display an additional histogram view.
@image html TOPPView_statistics.png
@image latex TOPPView_statistics.png "" width=12cm
*/
//##############################################################################
/**
@page TOPPView_editing Data editing
TOPPView also offers editing functionality for feature layers.
After enabling the feature editing mode in the context menu of the feature layer, the following actions
can be performed:
- Features can be dragged with the mouse in order to change the m/z and RT position.
- The position, intensity and charge of a feature can be edited by double-clicking a feature.
- Features can be created by double-clicking the layer background.
- Features can be removed by selecting them and pressing the DEL key.
*/
//##############################################################################
/**
@page TOPPView_hotkeys Hotkeys table
<TABLE border=0>
<TR> <TD colspan=2><B>File handling</B></TD> </TR>
<TR> <TD>CTRL+O</TD> <TD>Open file</TD> </TR>
<TR> <TD>CTRL+W</TD> <TD>Close current window</TD> </TR>
<TR> <TD>CTRL+S</TD> <TD>Save current layer</TD> </TR>
<TR> <TD>CTRL+SHIFT+S</TD> <TD>Save visible data of current layer</TD> </TR>
<TR> <TD colspan=2><B>Navigation in the data </B></TD> </TR>
<TR> <TD>CTRL</TD> <TD>Activate zoom mode</TD> </TR>
<TR> <TD>SHIFT</TD> <TD>Activate measurement mode</TD> </TR>
<TR> <TD>Arrow keys</TD> <TD>Translate currently shown data (1D View: Shift + Left/Right moves to the next peak in sparse data)</TD> </TR>
<TR> <TD>CTRL+'+',CTRL+'-'</TD> <TD>Move up and down in zoom history</TD> </TR>
<TR> <TD>mouse wheel</TD> <TD>Move up and down in zoom history</TD> </TR>
<TR> <TD>CTRL+G</TD> <TD>Goto dialog</TD> </TR>
<TR> <TD>Backspace</TD> <TD>Reset zoom</TD> </TR>
<TR> <TD>PageUp</TD> <TD>Select previous layer</TD> </TR>
<TR> <TD>PageDown</TD> <TD>Select next layer</TD> </TR>
<TR> <TD colspan=2><B>Visualization options</B></TD> </TR>
<TR> <TD>CTRL+R</TD> <TD>Show/hide grid lines </TD> </TR>
<TR> <TD>CTRL+L</TD> <TD>Show/hide axis legends </TD> </TR>
<TR> <TD>N</TD> <TD>Intensity mode: Normal </TD> </TR>
<TR> <TD>P</TD> <TD>Intensity mode: Percentage</TD> </TR>
<TR> <TD>S</TD> <TD>Intensity mode: Snap-to-maximum</TD> </TR>
<TR> <TD>I</TD> <TD>1D draw mode: peaks</TD> </TR>
<TR> <TD>R</TD> <TD>1D draw mode: raw data</TD> </TR>
<TR> <TD>CTRL+ALT+Home</TD> <TD>2D draw mode: increase minimum canvas coverage threshold (for raw peak scaling). 'Home' on MacOSX keyboards is also 'Fn+ArrowLeft'</TD> </TR>
<TR> <TD>CTRL+ALT+End</TD> <TD>2D draw mode: decrease minimum canvas coverage threshold (for raw peak scaling). 'End' on MacOSX keyboards is also 'Fn+ArrowRight'</TD> </TR>
<TR> <TD>CTRL+ALT+'+'</TD> <TD>2D draw mode: increase maximum point size (for raw peak scaling)</TD> </TR>
<TR> <TD>CTRL+ALT+'-'</TD> <TD>2D draw mode: decrease maximum point size (for raw peak scaling)</TD> </TR>
<TR> <TD colspan=2><B>Annotations in 1D view</B></TD> </TR>
<TR> <TD>CTRL+A</TD> <TD>Select all annotations of the current layer</TD> </TR>
<TR> <TD>DEL</TD> <TD>Delete all currently selected annotations</TD> </TR>
<TR> <TD colspan=2><B>Advanced</B></TD> </TR>
<TR> <TD>CTRL+T</TD> <TD>Apply TOPP tool to the current layer</TD> </TR>
<TR> <TD>CTRL+SHIFT+T</TD> <TD>Apply TOPP tool to the visible data of the current layer</TD> </TR>
<TR> <TD>F4</TD> <TD>Rerun TOPP tool</TD> </TR>
<TR> <TD>CTRL+M</TD> <TD>Show layer meta information</TD> </TR>
<TR> <TD>CTRL+I</TD> <TD>Annotate with identification results</TD> </TR>
<TR> <TD>1</TD> <TD>Show precursor peaks (2D peak layer)</TD> </TR>
<TR> <TD>2</TD> <TD>Show projections (2D peak layer)</TD> </TR>
<TR> <TD>5</TD> <TD>Show overall convex hull (2D feature layer)</TD> </TR>
<TR> <TD>6</TD> <TD>Show all convex hulls (2D feature layer)</TD> </TR>
<TR> <TD>7</TD> <TD>Show numbers and labels (2D feature layer)</TD> </TR>
<TR> <TD>9</TD> <TD>Show consensus elements (2D consensus layer)</TD> </TR>
<TR> <TD colspan=2><B>Help</B></TD> </TR>
<TR> <TD>F1</TD> <TD>Show TOPPView online tutorial</TD> </TR>
<TR> <TD>SHIFT+F1</TD> <TD>Activate <i>What's this?</i> mode</TD> </TR>
</TABLE>
*/
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