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<div class="">To be honest I am not sure why one would want to do this. When a parameter refines "out of range” it tells you something about your data or model. With a restraint, you would never know that for example, a Uiso value is refining negative by >
2 sigma or a occupancy is >>1. It makes sense to me to define a model so that the sum of occupancies is fixed — a well defined assumption. Defining a range for a parameter scares me as I could never know that my model is highly flawed is some way. </div>
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<div class="">Brian<br class="">
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<div class="">On Sep 12, 2016, at 10:27 AM, Ivo Alxneit <<a href="mailto:ivo.alxneit@psi.ch" class="">ivo.alxneit@psi.ch</a>> wrote:</div>
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<div class="">Dear all<br class="">
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is there a way to restrict fitted parameters to a certain range? For<br class="">
example restrict site occupancies to positive numbers or to a range such<br class="">
as 0.9-1.0?<br class="">
<br class="">
thanks for any help<br class="">
-- <br class="">
Dr. Ivo Alxneit<br class="">
Catalysis for Energy Group<br class="">
Bioenergy and Catalysis Laboratory phone: +41 56 310 4092<br class="">
Paul Scherrer Institute fax: +41 56 310 2688<br class="">
CH-5232 Villigen gnupg key: 0x515E30C7<br class="">
Switzerland<br class="">
<a href="https://www.psi.ch/ceg/catalysis-for-energy-group/" class="">https://www.psi.ch/ceg/catalysis-for-energy-group/</a><br class="">
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