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Model-free analysis single field

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== Reference ==
httphttps://threadsourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/1552mailman/message/36569608/
== The Question ==
The subject of single field strength data has been discussed numerous times on this mailing list. It is recommended to read previous responses to questions relating to single field strength data, and look the other messages in those threads. You will find these discussions quite informative and highly detailed:
# {| class="wikitable sortable"|-! Person! Message date! Message ID|-| [https://sourceforge.net/p/nmr-relax/mailman/message/36569855/ Danyun Zeng]| {{#time: Y-m-d H:i:s|Wed, 28 Jan 2015 10: http40:23 +0100}}| <small><CAED9pY-m5YEjN6KUX88s_yXLpY1BCudUaVvWWmC0U6WkteDnPA@mail.gmail.com></small>|-| [https://threadsourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/1800# mailman/message/36569841/ Sean Leo Moro]| {{#time: httpY-m-d H:i:s|Fri, 12 Dec 2014 09:24:51 +0100}}| <small><CAED9pY9eAa7B+pC2+RU_pTXWR14fgtiMAiJdQ7rKw+aY6mALaA@mail.gmail.com></small>|-| [https://threadsourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/1787mailman/message/36569491/focus=1788Navratna Vajpai]| {{# Martin Ballaschktime: httpY-m-d H:i:s|Tue, 30 Apr 2013 17:32:21 +0200}}| <small><CAED9pY-JcYpQtVpMe2dQf_iLvztQzVue=2d0mEQzYYnaYcRpnA@mail.gmail.com></small>|-| [https:/thread/sourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/1409mailman/message/36569422/focus=1438Shantanu Bhattacharyya]| {{# Shantanu Bhattacharyyatime: Y-m-d H:i:s|Mon, 7 Jan 2013 11: http29:28 +0100}}| <small><CAED9pY_aUzPH0OkZhTc2H=trV1VZ074XMcfT8SHYmKH5Bq6T3Q@mail.gmail.com></small>|-| [https:/thread/sourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/1367mailman/message/36569341/focus=1369Mengjun Xue]| {{# Mengjun Xuetime: Y-m-d H:i:s|Thu, 6 Sep 2012 14:14: http19 +0200}}| <small><CAED9pY_R8s31My1w19uh5ss7Cjhh6WJLEs62sUUHsF8SxeEc7g@mail.gmail.com></small>|-| [https://threadsourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/1276mailman/message/36569242/focus=1277Fernando Amador]| {{# Fernando Amadortime: Y-m-d H:i:s|Fri, 11 May 2012 09: http34:27 +0200}}| <small><CAED9pY-gtfP__28VpkKgGgRVPAST0S0_Q+Hi94Zre0N=NfVLWg@mail.gmail.com></small>|-| [https:/article/sourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/84mailman/message/36569074/ Dhanasekaran Muthu]| {{# Shantanu Bhattacharyyatime: Y-m-d H:i:s|Tue, 31 Jan 2012 15:45: http22 +0100}}| <small><CAED9pY8UArGMiEf-3_fCjQrBJYPecu+BCGqkqtcSXwSix4e5cQ@mail.gmail.com></small>|-| [https://threadsourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/1086mailman/message/36569071/focus=1087Vitaly Vostrikov]| {{# Dhanasekaran Muthutime: Y-m-d H:i:s|Mon, 23 Jan 2012 19:05: http12 +0100}}| <small><CAED9pY8SGxe_rF6RKWmXJwyXjrDhzcPZaw5b-nrkX_Bp+OEYMg@mail.gmail.com></small>|-| [https://threadsourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/1152mailman/message/36569049/focus=1153Aldino Viegas]| {{# Vitaly Vostrikovtime: Y-m-d H:i:s|Thu, 22 Sep 2011 10: http32:26 +0200}}| <small><CAED9pY-=rnJ6EjMHAr-YDKOpf8JfG0unLP+JmZD-oOaGXL5Org@mail.gmail.com></small>|-| [https://threadsourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/1147mailman/message/36569008/focus=1150Shantanu Bhattacharyya]| {{# Aldino Viegastime: Y-m-d H:i:s|Fri, 27 May 2011 10: http16:48 +0200}}| <small><BANLkTim-PG-kZQGK7Fn+4SLXZ4vO-DxkYw@mail.gmail.com></small>|-| [https:/thread/sourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/1127mailman/message/36568645/focus=1128# Pierre-Yves Savard]| {{#time: Y-m-d H: httpi:s|Thu, 8 Jan 2009 17:41:20 +0100}}| <small><7f080ed10901080841p88137d1v8d04321393f12ab1@mail.gmail.com></small>|-| [https://threadsourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/724mailman/message/36568437/focus=725Keith Constantine]| {{# Keith Constantinetime: Y-m-d H:i:s|Fri, 21 Mar 2008 21:17: http33 +0100}}| <small><7f080ed10803211317k6fb586cfpc305eabbc80a5bf2@mail.gmail.com></small>|-| [https://threadsourceforge.gmane.orgnet/p/nmr-relax/mailman/gmane.science.nmr.-relax-users/thread/7f080ed10705071527r77c2dbe9oa180cd8e0bb8e69a%40domain.user/513hid/focus=517# msg36568252 Clare-Louise Evans]| {{#time: Y-m-d H:i:s|Tue, 8 May 2007 00: http27:59 +0200}}| <small><7f080ed10705071527r77c2dbe9oa180cd8e0bb8e69a@mail.gmail.com></small>|-| [https://threadsourceforge.gmane.orgnet/p/gmane.science.nmr.-relax.user/326mailman/message/36570744/focus=332Hongyan Li]| {{# Hongyan Litime: Y-m-d H:i:s|Thu, 21 Dec 2006 19: http53://thread51 +1100}}| <small><7f080ed10612210053l751e5fd8k96ee6097f0840849@mail.gmanegmail.orgcom></gmane.science.nmr.relax.devel/694/focus=701small>|-|}
These will have lots of additional information. This is just a selection of possibly the most useful messages. You will soon see that this is a complicated topic. Note that relax is capable of performing 100% of the functionality of:
I must warn you about using single field strength data. It is now quite difficult to publish a model-free analysis with only single field strength data as most of the field know about the catastrophic analysis failures resulting in large amounts of artificial motion. These failures can also be much more subtle. Many reviewers will ask for such data to be collected as the results cannot not be trusted otherwise. For a model-free analysis, it is almost
essential to collect data at multiple field strengths, otherwise it can be sometimes impossible to distinguish between the anisotropic part of the Brownian tumbling of the molecule and internal motion - specifically due to the NH vectors in secondary structure elements all pointing in a similar direction. I have a much better explanation, as well as citations to all the relevant literature in [d'Auvergne and Gooley, 2007]. In this paper, you will see reviewed both the artificial nanosecond motions of the [Schurr et al., 1994] paper and the artifical [[Rex|R<sub>ex</sub> ]] motions of the [Tjandra et al., 1995] paper.
=== Recommendation ===
Finally, you will probably find it much easier to spend the 7-8 days collecting data at another field strength than to implement the [[#Protocol|protocol]] in a relax, [[Modelfree4]], or [[DASHA]] script (or via multiple iterations of the GUI programs), as well as study all of the relevant literature to understand all of the types of failures than only occurs with single field strength data. With multiple field strength data you can perform [https://gna.org/users/{{relax developer link|username=semor |text=Sebastien Morin's] }} consistency testing analysis in relax[Morin and Gagné, 2009] (see http://www.nmr-relax.com/manual/Consistency_testing.html). That way you can see if your per-experiment temperature calibration and
per-experiment temperature control techniques have works sufficiently well (http://www.nmr-relax.com/manual/Temperature_control_calibration.html) and if you have used long enough recycle delays. Collecting data at a second field would probably save you significant amounts of time, and has the additional benefit that it would guarantee that the dynamics you see at the end will be real. I cannot emphasize enough how important it is to collect data at multiple fields, most importantly the NOE and R<sub>2</sub> data.
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