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93c7459
fix: prioritized the use of subordinate metadata when choosing betwee…
dmccloskey Aug 30, 2020
e4733ff
Merge branch 'develop' of https://github.com/dmccloskey/SmartPeak2 in…
dmccloskey Aug 31, 2020
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Merge branch 'develop' of https://github.com/dmccloskey/SmartPeak2 in…
dmccloskey Oct 22, 2020
103c2c9
Merge branch 'develop' of https://github.com/dmccloskey/SmartPeak2 in…
dmccloskey Oct 22, 2020
1eda592
Merge branch 'develop' of https://github.com/dmccloskey/SmartPeak2 in…
dmccloskey Oct 29, 2020
207c7d9
Merge branch 'develop' of https://github.com/dmccloskey/SmartPeak2 in…
dmccloskey Nov 1, 2020
915f499
Merge branch 'develop' of https://github.com/dmccloskey/SmartPeak2 in…
dmccloskey Nov 7, 2020
2022cbd
Merge branch 'develop' of https://github.com/dmccloskey/SmartPeak2 in…
dmccloskey Nov 9, 2020
c260c3e
Merge branch 'develop' of https://github.com/dmccloskey/SmartPeak2 in…
dmccloskey Nov 12, 2020
0cca543
Merge branch 'develop' of https://github.com/dmccloskey/SmartPeak2 in…
dmccloskey Nov 17, 2020
d0e7e89
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Dec 3, 2020
d58cc92
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Dec 3, 2020
93b2372
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Dec 5, 2020
cd6b956
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Dec 12, 2020
c49c4c5
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Jan 23, 2021
914c0eb
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Jan 31, 2021
702d01b
Merge branch 'develop' of https://github.com/dmccloskey/SmartPeak int…
dmccloskey Feb 3, 2021
37a6911
Merge branch 'develop' of https://github.com/dmccloskey/SmartPeak int…
dmccloskey Feb 5, 2021
01de13e
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Feb 5, 2021
65ae03b
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Feb 6, 2021
c39b47a
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Feb 10, 2021
d7417d2
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Feb 19, 2021
64863d4
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Mar 5, 2021
c08c08b
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Jun 8, 2021
110ee94
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Aug 24, 2021
6f0191a
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Sep 27, 2021
9755ec8
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Dec 12, 2021
a1f48dc
Merge branch 'AutoFlowResearch:develop' into develop
dmccloskey Apr 4, 2022
e9c07e2
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey May 8, 2022
faca25c
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Jun 18, 2022
ab00a1b
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Aug 6, 2022
bb9f03c
Merge remote-tracking branch 'upstream/develop' into develop
dmccloskey Dec 19, 2022
28de882
fix: revisions to SmartPeak GUI section
dmccloskey Dec 19, 2022
b186525
feat: added a starting point for the server section
dmccloskey Dec 19, 2022
fee8908
wip: revising and expanding features
dmccloskey Dec 20, 2022
5f9d7a7
fix: updated version for installation instructions
dmccloskey Dec 20, 2022
08ac466
wip: revising and expanding features
dmccloskey Dec 20, 2022
9e48fd6
fix/feat: update faqs
dmccloskey Dec 20, 2022
82d0c70
fix: removed paramters now that it is redundant with the faqs
dmccloskey Dec 20, 2022
ba3cf91
feat: updated FAQ section
dmccloskey Dec 20, 2022
32601fa
fix: small changes to start and server pages
dmccloskey Dec 20, 2022
be4e8fc
feat: added images and descriptions to missing FAQ sections
dmccloskey Dec 20, 2022
4b3e672
feat: added images and descriptions to missing FAQ sections
dmccloskey Dec 20, 2022
00c28e0
fix: revised select features from best dilution section of features
dmccloskey Dec 20, 2022
4c41b5c
fix/feat: updated audit trail in features; fixed a couple of bugs fou…
dmccloskey Dec 20, 2022
fbf8e42
fix: other bugs found after building the docs
dmccloskey Dec 20, 2022
00d0737
feat: updates to features audit trail section
dmccloskey Dec 20, 2022
2a5952b
feat: updates to features audit trail section
dmccloskey Dec 20, 2022
68943a0
fix: edited HPLC tutorial page
dmccloskey Dec 21, 2022
e18549e
wip: adding LC-MS/MS-SRM tutorial
dmccloskey Dec 21, 2022
7a22581
feat, wip: added DDA and DIA tutorials
dmccloskey Dec 21, 2022
c2a2332
fix: revisions to FIAMS tutorial
dmccloskey Dec 21, 2022
6b39e6c
fix: table reformatting
dmccloskey Dec 21, 2022
c3cc956
wip: fixing tables in tutorials...
dmccloskey Dec 21, 2022
ae727f8
wip: fixing tables in tutorials...
dmccloskey Dec 22, 2022
595555b
fix: removed instrument specifics in tutorial names
dmccloskey Dec 22, 2022
56e6d63
fix: broken tables in the tutorials
dmccloskey Dec 22, 2022
ed59b6a
feat: updated all tutorial acquisition schematics
dmccloskey Dec 22, 2022
4af2497
feat: added additional sections for features
dmccloskey Dec 22, 2022
831bbc9
fix: bug in server usage section
dmccloskey Dec 22, 2022
a9c7a92
fix: updated documentation for the server to include dockerhub images
dmccloskey Dec 22, 2022
429252c
fix: updated features to include a section on workflow steps
dmccloskey Dec 23, 2022
0cfcc0e
wip: updating optimize calibration curve usage and example
dmccloskey Dec 26, 2022
39b964e
feat: added new screenshots for features
dmccloskey Dec 26, 2022
e30c7c7
fix: bugs in features
dmccloskey Dec 26, 2022
1646456
feat: optimize calibration curves feature section
dmccloskey Dec 26, 2022
d9d3d75
wip: added screenshots for lcms-srm tutorial
dmccloskey Dec 26, 2022
fe98f81
feat: body for lcms-srm tutorial
dmccloskey Dec 27, 2022
ce9db19
wip: adding dda methods
dmccloskey Dec 27, 2022
f670550
wip: workflows for DDA workflows
dmccloskey Dec 27, 2022
c715513
feat: added dda tutorial body
dmccloskey Dec 27, 2022
026923c
feat: dda tutorial screenshots
dmccloskey Dec 27, 2022
95e70e4
fix: bugs in lcms dda tutorial
dmccloskey Dec 27, 2022
b2c2a62
fix: bugs in tables in dda tutorial
dmccloskey Dec 28, 2022
194cf17
fix, feat: preparing for PR and small bug fixes
dmccloskey Dec 29, 2022
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279 changes: 0 additions & 279 deletions docs/about/parameters.rst

This file was deleted.

11 changes: 0 additions & 11 deletions docs/faq.rst

This file was deleted.

2 changes: 1 addition & 1 deletion docs/guide/guistart.rst → docs/guide/gui.rst
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@
Using SmartPeak GUI
----------------------------------------------------------------------------------------------------------

After successful installation of SmartPeak, on Windows open menu start and browse for relevant icon, you can also find the shortcut on desktop.
This page describes the graphical user interface (GUI) for working with SmartPeak. SmartPeak GUI provides functionality to facilitate users to get up and running as quickly as possible. SmartPeak GUI also provides various graphical views and plots to enable faster debugging and configuration of workflows and algorithms. After installation of SmartPeak on Windows, MacOS, and/or Linux, a shortcut should be available for quickly launching the application.

.. _logs:

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8 changes: 4 additions & 4 deletions docs/guide/install.rst
Original file line number Diff line number Diff line change
Expand Up @@ -9,17 +9,17 @@ Example on Ubuntu

.. code-block:: bash

wget https://github.com/AutoFlowResearch/SmartPeak/releases/download/v1.2.0/SmartPeak-1.2.0-Linux.deb
sudo dpkg -i SmartPeak-1.2.0-Linux.deb
wget https://github.com/AutoFlowResearch/SmartPeak/releases/download/v1.26.0/SmartPeak-1.26.0-Linux.deb
sudo dpkg -i SmartPeak-1.26.0-Linux.deb
sudo apt-get install -f

User can also use GUI by double clicking on SmartPeak-1.2.0-Linux.deb icon and requesting installation through Ubuntu Software.
User can also use GUI by double clicking on SmartPeak-1.26.0-Linux.deb icon and requesting installation through Ubuntu Software.


Example on Windows
------------------

Download latest release for windows, e.g. ``SmartPeak-1.2.0-win64.exe`` and double click on the icon.
Download latest release for windows, e.g. ``SmartPeak-1.26.0-win64.exe`` and double click on the icon.
The wizard will guide you through the installation process.

A warning from Windows Defender SmartScreen may appear.
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23 changes: 23 additions & 0 deletions docs/guide/server.rst
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@@ -0,0 +1,23 @@
.. begin_smartpeak_server_usage

Using SmartPeak Server
----------------------------------------------------------------------------------------------------------

This page describes the remote server for scaling SmartPeak to large and computationally demanding workflows using high performance computing (HPC) resources.
The SmartPeak Server utilizes containerization and gRPC to enable users to connect, control, and view a remote session using the SmartPeak GUI.
An IT administrator would most likely be required to set-up the remote server on the HPC resources and ensure file transfer and security are in place.
The SmartPeak team maintains containerized versions of the SmartPeak `CLI <https://hub.docker.com/r/autoflowresearch/smartpeak-cli>`_ and `Server <https://hub.docker.com/r/autoflowresearch/smartpeak-server>`_ on DockerHub that are required for setting up the workers and server, respectively.

.. todo::
Describe the functionality of the SmartPeak Server.

.. todo::
Describe how to set-up the SmartPeak Server as an IT administrator.

.. todo::
Describe how to connect to the SmartPeak Server as a user.

.. warning::
SmartPeak Server is currently experimental!

.. end_smartpeak_server_usage
9 changes: 8 additions & 1 deletion docs/guide/tutorials.rst
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@@ -1,13 +1,20 @@
Tutorials & Demos
=============================================================================

This section covers a breadth of walkthroughs using different datasets and analytical techniques.
This section covers a breadth of walkthroughs using different datasets and analytical techniques.
All of the datasets used in the tutorials can be found on `GitHub <https://github.com/AutoFlowResearch/SmartPeak/tree/develop/src/examples/data>`_.
The datasets and input files can be used as templates for getting started with a new and similar workflow in SmartPeak.

* :doc:`tutorials/Targeted_quantitation_with_LC-MSMS_5500_QTRAP_RapidRIP`.

* :doc:`tutorials/Targeted_quantitation_with_HPLC_data`.

* :doc:`tutorials/Non-targeted_FIA-MS_analysis_with_Thermo_Orbitrap`.

* :doc:`tutorials/Non-targeted_LC-MSMS_DDA_analysis_with_Thermo_Orbitrap`.

* :doc:`tutorials/Non-targeted_LC-MSMS_DIA_analysis`.

* :doc:`tutorials/Targeted_flux_analysis_with_LC-MSMS_Agilent_Lipidomics`.

* :doc:`tutorials/Targeted_flux_analysis_with_GC-MS_SIM_Agilent`.
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