From ff8da92f1d68fc316ce138d1b3d9951676312911 Mon Sep 17 00:00:00 2001
From: Brown <2mx@ornl.gov>
Date: Thu, 2 Jul 2020 17:15:22 -0400
Subject: [PATCH] Fix URR bug
If fitting > 15 datasets, a hard-coded set of
odf file names got overwritten causing an issue
change LST to lst
---
docs/tex/sammy_main.tex | 1 +
docs/tex/sammyrefs.bib | 33 +++
docs/tex/scattering-theory.tex | 2 +-
docs/tex/urr.tex | 311 ++++++++++++++++++++++++++++
sammy/samtry/CMakeLists.txt | 1 +
sammy/samtry/tr190/answers/t190.lst | 147 +++++++++++++
sammy/samtry/tr190/ctest.inp | 7 +
sammy/samtry/tr190/ctest_0 | 18 ++
sammy/samtry/tr190/ctest_0.cfg | 2 +
sammy/samtry/tr190/data/data-0.dat | 13 ++
sammy/samtry/tr190/data/data-1.dat | 27 +++
sammy/samtry/tr190/data/data-10.dat | 77 +++++++
sammy/samtry/tr190/data/data-11.dat | 50 +++++
sammy/samtry/tr190/data/data-12.dat | 19 ++
sammy/samtry/tr190/data/data-13.dat | 3 +
sammy/samtry/tr190/data/data-14.dat | 49 +++++
sammy/samtry/tr190/data/data-15.dat | 158 ++++++++++++++
sammy/samtry/tr190/data/data-2.dat | 12 ++
sammy/samtry/tr190/data/data-3.dat | 38 ++++
sammy/samtry/tr190/data/data-4.dat | 23 ++
sammy/samtry/tr190/data/data-5.dat | 14 ++
sammy/samtry/tr190/data/data-6.dat | 12 ++
sammy/samtry/tr190/data/data-7.dat | 40 ++++
sammy/samtry/tr190/data/data-8.dat | 34 +++
sammy/samtry/tr190/data/data-9.dat | 18 ++
sammy/samtry/tr190/urr-case.inp | 7 +
sammy/samtry/tr190/urr-case.par | 70 +++++++
sammy/src/acs/macs5.f | 2 +-
sammy/src/fff/mfff9.f | 2 +-
29 files changed, 1187 insertions(+), 3 deletions(-)
create mode 100644 docs/tex/urr.tex
create mode 100644 sammy/samtry/tr190/answers/t190.lst
create mode 100644 sammy/samtry/tr190/ctest.inp
create mode 100644 sammy/samtry/tr190/ctest_0
create mode 100644 sammy/samtry/tr190/ctest_0.cfg
create mode 100755 sammy/samtry/tr190/data/data-0.dat
create mode 100755 sammy/samtry/tr190/data/data-1.dat
create mode 100644 sammy/samtry/tr190/data/data-10.dat
create mode 100644 sammy/samtry/tr190/data/data-11.dat
create mode 100644 sammy/samtry/tr190/data/data-12.dat
create mode 100644 sammy/samtry/tr190/data/data-13.dat
create mode 100644 sammy/samtry/tr190/data/data-14.dat
create mode 100644 sammy/samtry/tr190/data/data-15.dat
create mode 100755 sammy/samtry/tr190/data/data-2.dat
create mode 100755 sammy/samtry/tr190/data/data-3.dat
create mode 100755 sammy/samtry/tr190/data/data-4.dat
create mode 100644 sammy/samtry/tr190/data/data-5.dat
create mode 100644 sammy/samtry/tr190/data/data-6.dat
create mode 100644 sammy/samtry/tr190/data/data-7.dat
create mode 100644 sammy/samtry/tr190/data/data-8.dat
create mode 100644 sammy/samtry/tr190/data/data-9.dat
create mode 100755 sammy/samtry/tr190/urr-case.inp
create mode 100644 sammy/samtry/tr190/urr-case.par
diff --git a/docs/tex/sammy_main.tex b/docs/tex/sammy_main.tex
index 8a7b1c831..40d127922 100644
--- a/docs/tex/sammy_main.tex
+++ b/docs/tex/sammy_main.tex
@@ -85,6 +85,7 @@
\include{introduction}
\include{scattering-theory}
\include{multScat} % Section
+ \include{urr}
\include{sammybib} % bibliography
% \bibliography{sammy_refs}
% \renewcommand*\thetable{\Alph{chapter}.\arabic{table}} % to get the tables to use chapter letters
diff --git a/docs/tex/sammyrefs.bib b/docs/tex/sammyrefs.bib
index fdd0f044f..b78647e56 100644
--- a/docs/tex/sammyrefs.bib
+++ b/docs/tex/sammyrefs.bib
@@ -1198,4 +1198,37 @@ abstract = "The response of the RPI 16-segment NaI(Tl) multiplicity detector sys
publisher={Clarendon Press, Oxford}
}
+@article{frohner1989evaluation,
+ title={{Evaluation of the unresolved resonance range of $^{238}$U}},
+ author={Fr{\"o}hner, Friedrich H},
+ journal={Nuclear Science and Engineering},
+ volume={103},
+ number={2},
+ pages={119--128},
+ year={1989},
+ publisher={Taylor \& Francis}
+}
+
+@techreport{derrien2000neutron,
+ title={{Neutron Total Cross Sections of $^{235}$U From Transmission Measurements in the Energy Range 2 keV to 300 keV and Statistical Model Analysis of the Data}},
+ author={Derrien, Herve and Harvey, John A and Larson, NM and Leal, Luiz C and Wright, Richard Q},
+ year={2000},
+ month={August},
+ institution={Oak Ridge National Laboratory},
+ number={ORNL/TM-2000/129},
+}
+
+@article{hill1953nuclear,
+ title={Nuclear constitution and the interpretation of fission phenomena},
+ author={Hill, David Lawrence and Wheeler, John Archibald},
+ journal={Physical Review},
+ volume={89},
+ number={5},
+ pages={1102},
+ year={1953},
+ publisher={APS}
+}
+
+
+
@Comment{jabref-meta: databaseType:bibtex;}
diff --git a/docs/tex/scattering-theory.tex b/docs/tex/scattering-theory.tex
index 8bc8d065e..6eda9f18a 100644
--- a/docs/tex/scattering-theory.tex
+++ b/docs/tex/scattering-theory.tex
@@ -113,7 +113,7 @@ W = P^{1/2}\left(I-RL\right)^{-1}\left(I-RL^*\right)P^{-1/2} \:.
\end{equation}
\noindent
-The quantity $I$ in this equation represents the identity matrix, and superscript $*$ indicates a complex conjugate. The form of the R-matrix given in Section IIA.1\ref{} in general Section II.B\ref{} for the versions used in SAMMY. The quantity $L$ in Eq. \ref{eq:W-matrix} is given by
+The quantity $I$ in this equation represents the identity matrix, and superscript $*$ indicates a complex conjugate. The form of the R-matrix is given in Section IIA.1\ref{} in general Section II.B\ref{} for the versions used in SAMMY. The quantity $L$ in Eq. \ref{eq:W-matrix} is given by
\begin{equation}\label{eq:L-matrix}
L = (S-B) + iP \:,
diff --git a/docs/tex/urr.tex b/docs/tex/urr.tex
new file mode 100644
index 000000000..01007fa16
--- /dev/null
+++ b/docs/tex/urr.tex
@@ -0,0 +1,311 @@
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% %
+% Unresolved Resonance Region %
+% %
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+\chapter{Unresolved Resonance Region}\label{ch:unresolved-res-region}
+
+As a first step towards expansion into the unresolved resonance region, Fritz Fr\"{o}hner's code
+FITACS \cite{frohner1989evaluation} has been obtained and inserted into SAMMY. FITACS uses Hauser-Feshbach
+theory with width fluctuations. The adjustable parameters are neutron strength functions,
+distant-level parameters, average radiation widths (at $E = 0$), and average fission widths (at $E = 0$).
+The energy dependence of the radiation widths is specified via the giant dipole model, of the fission
+widths via Hill-Wheeler fission barrier transmission coefficients, and of the mean level spacing for
+s-waves via the Gilbert-Cameron composite formula. Mean spacings for $l > 0$ are given via the
+Bethe formula. Moldauer's prescription is used for partial cross sections. Details of the theory are
+presented in Section \ref{sec:equations-for-urr}.
+
+Initially (for release M2 of the code), FITACS was incorporated into SAMMY (as segments
+SAMFFF and SAMACS) in a limited fashion only. Internal changes were made, to be consistent
+with SAMMY notation and to use dynamic dimensioning of arrays. The M + W version of Bayes'
+method has replaced the fitting procedure used in FITACS. Calculation of penetrabilities was
+extended to all $l$ values (FITACS had used only s, p, d, and f-waves). The output included files from
+which plots can be made. Results were reported in SAMMY.PAR in the same format as is used in
+the input file (as well as in more human-legible fashion in SAMMY.LPT).
+
+Subsequently, additional modifications, improvements, and new features have been made in
+the SAMMY URR treatment:
+
+\begin{itemize}
+ \item Partial derivatives with respect to varied parameters are calculated exactly rather than approximately.
+ \item A more efficient integration routine has been written for the Dresner integral, Eq. (VIII A.5) \ref{}.
+ \item It is possible to include (and vary, if desired) a normalization for each data set.
+ \item Elastic cross section data may be fitted.
+ \item There is no limit on the number or type of experimental data sets. Data may be kept in separate files rather than appended to the parameter file.
+ \item The output has been modified to conform more closely to SAMMY conventions.
+ \item An ``annotated'' PARameter file, including key-word-based input, is the default input option, and the only option available for output. (Files in the original format can still be used for input, but options are limited with that format.)
+ \item Different sets of average resonance parameters can be used in different energy ranges.
+ \item Output can be produced in ENDF/B format, for both File 2 (resonance parameters) and File 32 (covariance matrices). ENDF files cannot be used for input, because the ENDF format requires a more limited theoretical description than does FITACS/SAMMY.
+ \item The fitting procedure can be performed sequentially, in similar fashion as in the resolved resonance region. That is, output PARameter and COVariance files from the fit to one data set may be used as input to another run which fits another data set. [Initially, only simultaneous fitting of all data sets was permitted.]
+ \item ``No-Bayes'' runs can be made: cross sections will be calculated from the resonance parameters, but no fitting will be done.
+\end{itemize}
+
+\noindent
+Additions being considered for future revisions of the code include the following:
+
+\begin{itemize}
+ \item Multiple nuclides in the sample
+ \item An option to calculate multigroup cross sections and covariances
+ \item An option to include integral quantities in the fit
+ \item Extensions to the theory
+ \item Additional ENDF capability (requiring ENDF format changes)
+ \item A link between the resolved resonance parameters and those for the unresolved region, in order to provide more consistent evaluated cross sections
+ \item Methodologies for retroactive generation of covariance matrices, similar to that used in the resolved resonance region
+\end{itemize}
+
+Input for analysis of data in the unresolved resonance region is described in Section VIII.B\ref{}.
+Output is described in Section VIII.C\ref{}. The relationship between ENDF parameters and
+SAMMY/URR parameters is discussed in Section VIII.D\ref{}. For an example of the use of SAMMY/URR, see \cite{derrien2000neutron} and test cases 73, 88, 127, 133, 134, 142, and 145.
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\section{Equations For Unresolved Resonance Region} \label{sec:equations-for-urr}
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+The formulae for cross sections in the unresolved resonance region, as implemented in
+SAMMY, are presented in this section. The implementation is a modified form of that provided by
+Fritz Fr\"{o}hner in his FITACS code \cite{frohner1989evaluation}. (Please note that any mistakes in these formulae are
+attributable only to the author of this manual, not to Fr\"{o}hner. The author is indebted to Herve
+Derrien for significant contributions both to the development of the code and to the composition of
+this section of the manual.)
+
+\vspace{0.5cm}
+\noindent
+\textbf{Elastic cross section}
+
+The elastic cross section is given as the difference between the total cross section and the
+sum of all the non-elastic partial cross sections. The total cross section is given by Eqs. (VIII A.1)
+through (VIII A.4), and the non-elastic partial cross sections by Eqs. (VIII A.5) through (VIII A.20).
+
+\vspace{0.5cm}
+\noindent
+\textbf{Total cross section}
+
+The average total cross section, for a given spin and parity and incident channel $c$, may be
+written in the form
+
+\begin{equation} \label{eq:urr-tot-xs}
+ \langle \sigma_c \rangle = \frac{2\pi g_c}{k_c^2}\left(1-\text{Re}\left\langle S_{cc} \right\rangle\right) \:,
+\end{equation}
+
+\noindent
+where, as usual, $g_c$ is the spin factor and $k_c$ is the center-of-mass momentum. The average scattering matrix $\left\langle S_{cc}\right\rangle$ is given by
+
+\begin{equation} \label{eq:avg-scattering-matrix}
+\left\langle S_{cc} \right\rangle = e^{-2i\phi_c}\frac{1-\langle R_{cc}\rangle L_{c}^{0*}}{1-\langle R_{cc}\rangle L_{c}^{0}} \:,
+\end{equation}
+
+\noindent
+and the average R-matrix can be written in the form
+
+\begin{equation} \label{eq:avg-r-matrix}
+\left\langle R_{cc} \right\rangle = R_c^\infty + i\pi s_c \:,
+\end{equation}
+
+\noindent
+with parameters defined as follows:
+
+\vspace{0.5cm}
+\noindent
+$R_c^\infty = $ distant-level parameter (in input quantity);
+
+\vspace{0.2cm}
+\noindent
+$\phi_c = $ hard-sphere phase shift, generated using matching radius $a$ (an input quantity);
+
+\vspace{0.2cm}
+\noindent
+$L_c^0 = (S_c-B_c)+iP_c$ (see Section \ref{sec:equations-for-scattering-theory}) with boundary condition $B_c$ chosen such that $S_c - B_c = 0$;
+
+\vspace{0.2cm}
+\noindent
+$s_c = $ pole strength.
+
+\vspace{0.5cm}
+\noindent
+The pole strength is defined in terms of input quantities $\tilde{S}_c$ (the strength function, for which we have introduced the tilde to avoid confusion with the shift factor used in the definition of $L_c^0$) and $a_c$ (the R-matrix matching radius) as
+
+\begin{equation} \label{eq:pole-strength-definition}
+s_c = \tilde{S}_c\sqrt{E}/2\rho
+\end{equation}
+
+\noindent
+where $\rho$ is the center-of-mass momentum $k_c$ multiplied by the channel radius $a_c$.
+
+\vspace{0.5cm}
+\noindent
+\textbf{Non-elastic partial cross sections}
+
+The non-elastic partial cross sections may be written in terms of transmission coefficients $T_x$ as
+
+\begin{equation} \label{eq:urr-partial-xs}
+ \langle \sigma_{ab} \rangle = \frac{\pi g_a}{k_a^2}\frac{T_aT_b}{T} \int_0^\infty dt\; e^{-T_\gamma/T}\; \Pi\left(1+\frac{2}{\nu_c}\frac{T_c}{T}t\right)^{-\nu_c/2-\delta_{ac}-\delta_{bc}} \;,
+\end{equation}
+
+\noindent
+where the quantities to the left of the integral sign are the Hauser-Feshbach expression, and the integrand is the Moldauer prescription \cite{moldauer_1980} for the width fluctuation correction factor. (A derivation of this expression, including the assumptions under which it is derived, is provided in Section \ref{}.) Here $a$ represents the incident channel and $b$ the exit channel; $\nu_c$ and $T_c$ represent the number of degrees of freedom (multiplicity) and transmission coefficient, respectively, for channel $c$. Subscript $\gamma$ refers to photon channels. $T$ is defined as the sum over all channels:
+
+\begin{equation} \label{eq:urr-tot-trans-coeff}
+ T = \sum_c T_c \;.
+\end{equation}
+
+The transmission coefficient for neutron channels is given by
+
+\begin{equation} \label{eq:urr-chan-trans-coeff}
+ T_c = 1-|\langle S_{cc}\rangle|^2 = \frac{4\pi P_cs_c}{\left|1-\langle R_{cc}\rangle L_c\right|^2} \;,
+\end{equation}
+
+\noindent
+where $c$ is an incident channel, $P$ and $L$ are as defined in Section \ref{sec:equations-for-scattering-theory}, and the other quantities are given above. For photon and fission channels, the transmission coefficients for spin $J$ are
+
+\begin{equation} \label{eq:urr-gam-fiss-trans-coeff}
+ T_\gamma = 2\pi \langle \Gamma_\gamma\rangle/D_J \qquad \text{and} \qquad T_f = 2\pi \langle \Gamma_f\rangle/D_J \;,
+\end{equation}
+
+\noindent
+in which $D_J$ is the mean level spacing for levels with this spin.
+
+The $J$-dependence of the mean level spacing is set in SAMMY/FITACS via the Bethe formula (e.g., \cite{frohner_1978}):
+
+\begin{equation} \label{eq:urr-J-dep-level-spacing}
+ (D_J(E))^{-1} = (d(E))^{-1}\left\{e^{\frac{-J^2}{2(\sigma(E))^2}}-e^{\frac{-(J+1)^2}{2(\sigma(E))^2}}\right\} \;,
+\end{equation}
+
+\noindent
+where $d(E)$ is independent of $J$, and $\sigma$ is the spin cutoff parameter. The spin cutoff parameter is related to the level density parameter $a$ and the energy $E$ by the formula
+
+\begin{equation} \label{eq:urr-spin-cutoff-parameter}
+ \sigma^2 = (0.14592)(A+1)^{2/3}\sqrt{a(E+BE-PE)} \;,
+\end{equation}
+
+\noindent
+in which $BE$ represents the neutron binding energy (an input parameter) and $PE$ the pairing energy (also an input parameter). The value for $a$ is determined from the input quantity $D$, which is the mean level spacing of the $l=0$ resonances at $E=0$; note that $D$ includes both $J=I-i$ and $J=I+i$, where $I$ is the spin of the target nucleus and $i=1/2$ is the spin of the neutron. An expression for the inverse of $D$ can be found from Eq. \ref{eq:urr-J-dep-level-spacing} to be
+
+\begin{equation} \label{eq:urr-level-spacing-at-zero}
+\begin{split}
+ D^{-1} &= \sum_J(D_J(E=0))^{-1} \\
+ &= (d(0))^{-1}\left\{e^{\frac{-(I-\frac{1}{2})^2}{2\sigma^2}}-e^{\frac{-(I+\frac{3}{2})^2}{2\sigma^2}}\right\} \;;
+\end{split}
+\end{equation}
+
+\noindent
+this expression is used to determine the value of $\sigma^2$ and hence the value of the level density parameter $a$.
+
+The energy dependence of the mean level spacing is calculated with the Gilbert-Cameron
+composite formula \cite{gilbert_cameron}. Let $E_x$ represent the excitation energy of the compound nucleus; this
+energy is equal to the sum of the incident neutron kinetic energy $E$ and the neutron binding energy
+$BE$ (which is an input quantity). That is to say,
+
+\begin{equation} \label{eq:urr-excitation-energy}
+ E_x = E+BE \;.
+\end{equation}
+
+The energy dependence for low excitation energies $E_x < E_0$ , where $E_0$ is a matching
+energy, is given by the constant-temperature formula
+
+\begin{equation} \label{eq:urr-constant-temperature-formula}
+ D^{-1} \sim C_3\frac{\text{exp}\left[{C_2\sqrt{E_0-PE}}\right]}{(E_0-PE)^{3/2}} \; \text{exp}\left[\frac{E_x-E_0}{2}\left(\frac{C_2}{\sqrt{E_0-PE}}-\frac{3}{E_0-PE}\right)\right] \;.
+\end{equation}
+
+\noindent
+In the code, the matching energy $E_0$ is set at
+
+\begin{equation} \label{eq:urr-matching-energy}
+ E_0 = \left[\frac{5}{2}+\frac{150}{(N+Z+1)}\right]
+\end{equation}
+
+\noindent
+in unit of MeV, with $N+Z$ being the mass number for the target nucleus. Values of the constants $C_2$ and $C_3$ are given by
+
+\begin{equation} \label{eq:urr-constant-temperature-formula}
+ C_2 = \sqrt{4a} \qquad \text{and} \qquad C_3 = \frac{1}{12\sqrt{2aq}} \;,
+\end{equation}
+
+\noindent
+with $q$ defined as
+
+\begin{equation} \label{eq:urr-constant-temperature-formula}
+ q = 0.14592(N+Z+1)^{2/3} \;,
+\end{equation}
+
+\noindent
+where $N+Z$ is again the mass number for the target nucleus and $a$ is the level density parameter.
+
+At higher energies $E_x>E_0$, the energy dependence of the mean level spacing is calculated
+via the Fermi-Gas formula
+
+\begin{equation} \label{eq:urr-constant-temperature-formula}
+ D^{-1} \propto C_3\frac{\text{exp}\left[C_2\sqrt{E_x-PE}\right]}{(E_x-PE)^{3/2}} \;.
+\end{equation}
+
+Note that the two formulae agree at the matching energy (i.e., at $E_x=E_0$).
+
+Radiation widths $\langle\Gamma_\gamma\rangle$ are assumed to depend only on parity $\pi$ and on $E$. The energy
+dependence is calculated with the giant dipole resonance model. Fission widths $\langle\Gamma_f\rangle$ may vary with spin as well as parity and incident neutron energy $E$. Energy dependence is calculated with the Hill-Wheeler fission barrier transmission coefficients \cite{hill1953nuclear}. For a given $J^\pi$, the energy dependence of the fission widths is taken to be
+
+\begin{equation} \label{eq:urr-condensed-hill-wheeler-fission}
+ \langle\Gamma_f(E)\rangle = \langle\Gamma_f(0)\rangle \frac{1+\text{exp}\left[E_{HW}/W_{HW}\right]}{1+\text{exp}\left[-(E-E_{HW})/W_{HW}\right]} \;,
+\end{equation}
+
+\noindent
+where the Hill-Wheeler threshold energy $E_{HW}$ and the Hill-Wheeler threshold width $W_{HW}$ are input quantities. This equation may be written in more ``standard'' notation as
+
+\begin{equation} \label{eq:urr-standard-hill-wheeler-fission}
+ \langle\Gamma_f(E)\rangle = \langle\Gamma_f(0)\rangle \frac{1+\text{exp}\left[2\pi(E_f-BE)/\hbar\omega\right]}{1+\text{exp}\left[-2\pi(E_x-(E_{f}-BE))/\hbar\omega\right]} \;,
+\end{equation}
+
+\noindent
+where, as above, $E_x$ is the excitation energy of the neutron and $BE$ is the binding energy. Also,
+$E_f$ is the fission barrier height, and $\hbar\omega$ the width of the fission barrier.
+
+Finally, a few words regarding the derivation of Eq. \ref{eq:urr-partial-xs} are warranted. That
+derivation is based on several assumptions:
+
+\begin{enumerate}
+\item The Moldauer prescription \cite{moldauer_1980} for width fluctuations is used. That is, the width fluctuation
+correction factor is introduced to compensate for the non-unity of the ratio
+
+\begin{equation} \label{eq:urr-trans-coeff-ratio}
+ \left\langle\frac{T_aT_b}{T}\right\rangle / \frac{\langle T\rangle}{\langle T_a\rangle\langle T_b\rangle} \;.
+\end{equation}
+
+\item Partial widths obey a chi-squared distribution with $\nu_c$ degrees of freedom (where the value of $\nu_c$ depends on the number of channels of this de-excitation); averages are therefore weighted
+with this distribution. In the Moldauer prescription for width fluctuations, simple channels
+have 1 $< \nu_c <$ 1.78; for lumped channels, $\nu_c$ is a function of $T_c$.
+\item Channels with the same transmission coefficients may be combined by introducing multiplicities.
+\end{enumerate}
+
+The integral of Eq. \ref{eq:urr-partial-xs} is described by Fr\"{o}hner as the ``width fluctuation correction or
+Dresner factor.'' One (relatively modest) difference between SAMMY and the original FITACS
+coding is the algorithm for calculating the Dresner integral; in SAMMY, the coding has been refined
+to increase both speed and accuracy of calculation by using a non-uniform grid designed specifically
+for this task. (Note: Prior to release 7 of the code, the Moldauer correction was inadvertently disabled in
+code. This has now been fixed.)
+
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\subsection{Derivation of Non-Elastic Average Cross Section} \label{sec:derivation-urr-non-elastic-xs}
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
diff --git a/sammy/samtry/CMakeLists.txt b/sammy/samtry/CMakeLists.txt
index 78896e002..d667ee7c3 100755
--- a/sammy/samtry/CMakeLists.txt
+++ b/sammy/samtry/CMakeLists.txt
@@ -191,6 +191,7 @@ SET(SAMTRY
tr158
tr187
tr072
+ tr190
)
foreach(INPUT ${SAMTRY})
diff --git a/sammy/samtry/tr190/answers/t190.lst b/sammy/samtry/tr190/answers/t190.lst
new file mode 100644
index 000000000..d80298787
--- /dev/null
+++ b/sammy/samtry/tr190/answers/t190.lst
@@ -0,0 +1,147 @@
+ 7000.0000000000 0.0000024000 0.0000004800 0.0211033233 0.0077404310
+ 7250.0000000000 0.0000028000 0.0000005600 0.0237595870 0.0087332739
+ 7350.0000000000 0.0000030000 0.0000006000 0.0247388917 0.0090999932
+ 7700.0000000000 0.0000035000 0.0000007000 0.0279215394 0.0102960794
+ 8000.0000000000 0.0000040000 0.0000008000 0.0304395549 0.0112490855
+ 8200.0000000000 0.0000043000 0.0000008600 0.0320421142 0.0118599422
+ 8400.0000000000 0.0000046000 0.0000009200 0.0335966225 0.0124562847
+ 8700.0000000000 0.0000051000 0.0000010200 0.0358531158 0.0133300309
+ 9000.0000000000 0.0000056000 0.0000011200 0.0380349472 0.0141851962
+ 9150.0000000000 0.0000058000 0.0000011600 0.0391015749 0.0146073822
+ 9600.0000000000 0.0000065000 0.0000013000 0.0422163954 0.0158584260
+ 10000.0000000000 0.0000072000 0.0000014400 0.0448925312 0.0169571997
+ 10400.0000000000 0.0000083000 0.0000016600 0.0474918526 0.0180485127
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diff --git a/sammy/samtry/tr190/ctest.inp b/sammy/samtry/tr190/ctest.inp
new file mode 100644
index 000000000..8aedc69fa
--- /dev/null
+++ b/sammy/samtry/tr190/ctest.inp
@@ -0,0 +1,7 @@
+###########################################################
+# Test for URR fitting of > 15 datasets
+###########################################################
+###########################################################
+sammy ctest_0 ctest_0.cfg
+###########################################################
+
diff --git a/sammy/samtry/tr190/ctest_0 b/sammy/samtry/tr190/ctest_0
new file mode 100644
index 000000000..2de759cbe
--- /dev/null
+++ b/sammy/samtry/tr190/ctest_0
@@ -0,0 +1,18 @@
+urr-case.inp
+urr-case.par
+data/data-0.dat
+data/data-1.dat
+data/data-2.dat
+data/data-3.dat
+data/data-4.dat
+data/data-5.dat
+data/data-6.dat
+data/data-7.dat
+data/data-8.dat
+data/data-9.dat
+data/data-10.dat
+data/data-11.dat
+data/data-12.dat
+data/data-13.dat
+data/data-14.dat
+data/data-15.dat
diff --git a/sammy/samtry/tr190/ctest_0.cfg b/sammy/samtry/tr190/ctest_0.cfg
new file mode 100644
index 000000000..b0873d90f
--- /dev/null
+++ b/sammy/samtry/tr190/ctest_0.cfg
@@ -0,0 +1,2 @@
+cp data16.lst results/t190.lst
+LST answers/t190.lst results/t190.lst
diff --git a/sammy/samtry/tr190/data/data-0.dat b/sammy/samtry/tr190/data/data-0.dat
new file mode 100755
index 000000000..0fe7a48c1
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-0.dat
@@ -0,0 +1,13 @@
+CAPTURE CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 500.020 0.070 0.039
+ 510.022 3.097 0.056
+ 520.023 0.049 0.088
+ 530.043 8.053 0.082
+ 550.001 1.025 0.049
+ 560.017 0.081 0.082
+ 570.015 4.005 0.095
+ 590.018 3.057 0.072
+ 600.051 9.024 0.026
+ 620.041 7.026 0.086
+ 630.016 5.007 0.081
diff --git a/sammy/samtry/tr190/data/data-1.dat b/sammy/samtry/tr190/data/data-1.dat
new file mode 100755
index 000000000..3f2d4af34
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-1.dat
@@ -0,0 +1,27 @@
+CAPTURE CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 500.020 0.260 0.093
+ 510.022 0.587 0.086
+ 520.023 0.074 0.049
+ 530.043 0.241 0.038
+ 550.001 0.640 0.019
+ 560.017 0.506 0.025
+ 570.015 0.507 0.078
+ 590.018 0.638 0.084
+ 600.051 0.562 0.063
+ 620.041 0.588 0.008
+ 630.016 0.135 0.048
+ 650.006 0.189 0.017
+ 670.044 0.997 0.063
+ 680.065 0.270 0.024
+ 700.004 0.458 0.025
+ 720.000 0.636 0.003
+ 740.097 0.983 0.058
+ 760.038 0.711 0.097
+ 790.072 0.567 0.028
+ 810.050 0.399 0.011
+ 830.027 0.352 0.041
+ 860.063 0.545 0.078
+ 880.022 0.114 0.010
+ 910.071 0.577 0.064
+
\ No newline at end of file
diff --git a/sammy/samtry/tr190/data/data-10.dat b/sammy/samtry/tr190/data/data-10.dat
new file mode 100644
index 000000000..372036afa
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-10.dat
@@ -0,0 +1,77 @@
+CAPTURE CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 5.500e+03 3.629e+00 3.830e-01
+ 6.500e+03 2.883e+00 2.820e-01
+ 7.500e+03 2.452e+00 2.300e-01
+ 8.500e+03 2.166e+00 1.950e-01
+ 9.500e+03 2.060e+00 1.850e-01
+ 1.050e+04 1.811e+00 1.560e-01
+ 1.150e+04 1.851e+00 1.560e-01
+ 1.250e+04 1.729e+00 1.430e-01
+ 1.350e+04 1.568e+00 1.260e-01
+ 1.450e+04 1.538e+00 1.230e-01
+ 1.550e+04 1.365e+00 1.070e-01
+ 1.650e+04 1.319e+00 1.030e-01
+ 1.750e+04 1.191e+00 9.300e-02
+ 1.850e+04 1.187e+00 9.200e-02
+ 1.950e+04 1.189e+00 9.100e-02
+ 2.100e+04 1.117e+00 8.600e-02
+ 2.300e+04 1.048e+00 8.000e-02
+ 2.500e+04 9.622e-01 7.400e-02
+ 2.700e+04 9.345e-01 7.200e-02
+ 2.900e+04 8.781e-01 6.600e-02
+ 3.100e+04 8.434e-01 6.500e-02
+ 3.300e+04 8.682e-01 6.700e-02
+ 3.500e+04 8.167e-01 6.300e-02
+ 3.700e+04 7.652e-01 5.900e-02
+ 3.900e+04 7.286e-01 5.500e-02
+ 4.100e+04 6.999e-01 6.300e-02
+ 4.300e+04 6.850e-01 6.100e-02
+ 4.500e+04 6.613e-01 5.800e-02
+ 4.700e+04 5.930e-01 5.200e-02
+ 4.900e+04 6.048e-01 5.200e-02
+ 5.100e+04 5.811e-01 5.000e-02
+ 5.300e+04 5.732e-01 4.800e-02
+ 5.500e+04 5.643e-01 4.700e-02
+ 5.700e+04 5.712e-01 4.700e-02
+ 5.900e+04 5.524e-01 4.500e-02
+ 6.100e+04 5.356e-01 4.300e-02
+ 6.300e+04 5.455e-01 4.400e-02
+ 6.500e+04 5.365e-01 4.300e-02
+ 6.700e+04 4.989e-01 4.000e-02
+ 6.900e+04 4.979e-01 4.000e-02
+ 7.100e+04 4.831e-01 3.900e-02
+ 7.300e+04 4.732e-01 3.800e-02
+ 7.500e+04 4.890e-01 3.900e-02
+ 7.700e+04 4.821e-01 3.900e-02
+ 7.900e+04 4.573e-01 3.700e-02
+ 8.200e+04 4.534e-01 3.600e-02
+ 8.600e+04 4.653e-01 3.700e-02
+ 9.000e+04 4.663e-01 3.700e-02
+ 9.400e+04 4.494e-01 3.600e-02
+ 9.800e+04 4.148e-01 3.300e-02
+ 1.020e+05 4.088e-01 3.300e-02
+ 1.060e+05 4.247e-01 3.400e-02
+ 1.100e+05 4.296e-01 3.400e-02
+ 1.140e+05 4.098e-01 3.300e-02
+ 1.180e+05 3.920e-01 3.100e-02
+ 1.240e+05 3.861e-01 3.100e-02
+ 1.320e+05 3.811e-01 3.000e-02
+ 1.400e+05 3.772e-01 3.000e-02
+ 1.480e+05 3.395e-01 2.700e-02
+ 1.560e+05 3.316e-01 2.600e-02
+ 1.640e+05 3.227e-01 2.500e-02
+ 1.720e+05 3.168e-01 2.500e-02
+ 1.800e+05 3.108e-01 2.400e-02
+ 1.880e+05 3.019e-01 2.400e-02
+ 1.960e+05 2.901e-01 2.300e-02
+ 2.075e+05 2.881e-01 2.300e-02
+ 2.225e+05 2.802e-01 2.200e-02
+ 2.375e+05 2.752e-01 2.200e-02
+ 2.525e+05 2.762e-01 2.200e-02
+ 2.675e+05 2.712e-01 2.200e-02
+ 2.825e+05 2.425e-01 2.100e-02
+ 2.975e+05 2.415e-01 1.900e-02
+ 3.125e+05 2.406e-01 1.900e-02
+ 3.275e+05 2.237e-01 1.900e-02
+ 3.425e+05 2.128e-01 1.700e-02
diff --git a/sammy/samtry/tr190/data/data-11.dat b/sammy/samtry/tr190/data/data-11.dat
new file mode 100644
index 000000000..18d17db3e
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-11.dat
@@ -0,0 +1,50 @@
+CAPTURE CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 2.200e+04 9.050e-01 5.000e-02
+ 2.600e+04 7.710e-01 4.100e-02
+ 3.000e+04 7.100e-01 3.700e-02
+ 3.400e+04 6.760e-01 3.500e-02
+ 3.800e+04 6.400e-01 3.300e-02
+ 4.200e+04 5.770e-01 2.900e-02
+ 4.600e+04 5.320e-01 2.700e-02
+ 5.000e+04 5.060e-01 2.500e-02
+ 5.400e+04 5.010e-01 2.500e-02
+ 5.800e+04 5.000e-01 2.500e-02
+ 6.200e+04 4.600e-01 2.300e-02
+ 6.600e+04 4.470e-01 2.200e-02
+ 7.000e+04 4.400e-01 2.200e-02
+ 7.400e+04 4.400e-01 2.200e-02
+ 7.800e+04 4.130e-01 2.000e-02
+ 8.200e+04 4.030e-01 2.000e-02
+ 8.600e+04 3.900e-01 1.900e-02
+ 9.000e+04 3.860e-01 1.900e-02
+ 9.400e+04 3.720e-01 1.800e-02
+ 9.800e+04 3.630e-01 1.800e-02
+ 1.050e+05 3.400e-01 1.600e-02
+ 1.150e+05 3.240e-01 1.600e-02
+ 1.250e+05 3.210e-01 1.800e-02
+ 1.350e+05 3.130e-01 1.800e-02
+ 1.450e+05 2.870e-01 1.600e-02
+ 1.550e+05 2.800e-01 1.600e-02
+ 1.650e+05 2.690e-01 1.500e-02
+ 1.750e+05 2.660e-01 1.500e-02
+ 1.850e+05 2.540e-01 1.500e-02
+ 1.950e+05 2.500e-01 1.400e-02
+ 2.050e+05 2.320e-01 1.300e-02
+ 2.150e+05 2.440e-01 1.400e-02
+ 2.250e+05 2.290e-01 1.300e-02
+ 2.350e+05 2.260e-01 1.300e-02
+ 2.450e+05 2.230e-01 1.300e-02
+ 2.550e+05 2.160e-01 1.200e-02
+ 2.650e+05 2.300e-01 1.300e-02
+ 2.750e+05 2.220e-01 1.300e-02
+ 2.850e+05 2.190e-01 1.300e-02
+ 2.950e+05 2.020e-01 1.200e-02
+ 3.100e+05 1.950e-01 1.100e-02
+ 3.300e+05 1.860e-01 1.100e-02
+ 3.500e+05 1.770e-01 1.000e-02
+ 3.700e+05 1.660e-01 1.000e-02
+ 3.900e+05 1.580e-01 9.000e-03
+ 4.100e+05 1.560e-01 9.000e-03
+ 4.300e+05 1.550e-01 9.000e-03
+ 4.500e+05 1.500e-01 9.000e-03
diff --git a/sammy/samtry/tr190/data/data-12.dat b/sammy/samtry/tr190/data/data-12.dat
new file mode 100644
index 000000000..84181f348
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-12.dat
@@ -0,0 +1,19 @@
+CAPTURE CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 2.365e+04 9.370e-01 2.900e-02
+ 8.159e+04 4.430e-01 1.600e-02
+ 1.278e+05 3.460e-01 1.400e-02
+ 1.368e+05 3.400e-01 8.900e-03
+ 1.675e+05 3.120e-01 1.100e-02
+ 1.833e+05 2.990e-01 1.100e-02
+ 2.191e+05 2.610e-01 1.200e-02
+ 2.726e+05 2.420e-01 7.100e-03
+ 3.080e+05 2.240e-01 5.500e-03
+ 3.516e+05 2.050e-01 6.000e-03
+ 3.756e+05 1.900e-01 7.100e-03
+ 4.668e+05 1.810e-01 9.000e-03
+ 5.549e+05 1.860e-01 1.600e-02
+ 6.435e+05 1.630e-01 4.500e-03
+ 6.994e+05 1.530e-01 5.800e-03
+ 9.470e+05 1.360e-01 6.100e-03
+ 1.181e+06 1.080e-01 6.400e-03
diff --git a/sammy/samtry/tr190/data/data-13.dat b/sammy/samtry/tr190/data/data-13.dat
new file mode 100644
index 000000000..d0c3c11d6
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-13.dat
@@ -0,0 +1,3 @@
+TOTAL CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 2.450e+04 1.153e+01 5.000e-02
diff --git a/sammy/samtry/tr190/data/data-14.dat b/sammy/samtry/tr190/data/data-14.dat
new file mode 100644
index 000000000..caec15660
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-14.dat
@@ -0,0 +1,49 @@
+TOTAL CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 4.800e+04 1.004e+01 1.700e-01
+ 6.300e+04 9.586e+00 1.642e-01
+ 7.800e+04 9.169e+00 1.621e-01
+ 9.200e+04 8.818e+00 1.604e-01
+ 1.110e+05 8.519e+00 1.598e-01
+ 1.370e+05 8.164e+00 1.582e-01
+ 1.720e+05 7.862e+00 1.578e-01
+ 1.950e+05 7.663e+00 7.218e-02
+ 2.230e+05 7.514e+00 1.573e-01
+ 2.440e+05 7.453e+00 7.264e-02
+ 2.970e+05 7.194e+00 7.125e-02
+ 3.500e+05 7.118e+00 7.663e-02
+ 4.010e+05 7.131e+00 6.835e-02
+ 4.580e+05 6.998e+00 6.720e-02
+ 5.100e+05 6.934e+00 4.873e-02
+ 5.680e+05 6.866e+00 7.713e-02
+ 6.100e+05 6.923e+00 6.343e-02
+ 6.700e+05 6.794e+00 1.076e-01
+ 7.150e+05 6.931e+00 6.075e-02
+ 7.730e+05 6.890e+00 8.184e-02
+ 8.210e+05 6.899e+00 5.979e-02
+ 9.240e+05 6.960e+00 5.726e-02
+ 1.023e+06 6.928e+00 4.951e-02
+ 1.128e+06 6.958e+00 6.799e-02
+ 1.230e+06 6.948e+00 6.980e-02
+ 1.333e+06 6.928e+00 1.654e-01
+ 1.533e+06 7.085e+00 4.662e-02
+ 1.631e+06 7.072e+00 6.455e-02
+ 1.734e+06 7.016e+00 1.116e-01
+ 1.825e+06 7.294e+00 6.763e-02
+ 1.931e+06 7.280e+00 5.277e-02
+ 2.025e+06 7.262e+00 7.858e-02
+ 2.134e+06 7.278e+00 5.194e-02
+ 2.279e+06 7.155e+00 7.749e-02
+ 2.429e+06 7.228e+00 5.350e-02
+ 2.574e+06 7.166e+00 6.832e-02
+ 2.791e+06 6.909e+00 6.607e-02
+ 2.994e+06 7.043e+00 6.629e-02
+ 3.188e+06 6.810e+00 7.141e-02
+ 3.387e+06 6.771e+00 7.043e-02
+ 3.585e+06 6.763e+00 7.412e-02
+ 3.781e+06 6.468e+00 7.652e-02
+ 3.974e+06 6.529e+00 8.132e-02
+ 4.185e+06 6.373e+00 9.934e-02
+ 4.389e+06 6.218e+00 1.461e-01
+ 4.598e+06 6.106e+00 8.079e-02
+ 4.807e+06 5.935e+00 9.212e-02
diff --git a/sammy/samtry/tr190/data/data-15.dat b/sammy/samtry/tr190/data/data-15.dat
new file mode 100644
index 000000000..e62e8d482
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-15.dat
@@ -0,0 +1,158 @@
+INELASTIC CROSS SECTION
+RELAT. UNCERT.
+ 7000.000 0.0000024 0.20
+ 7250.000 0.0000028
+ 7350.000 0.0000030
+ 7700.000 0.0000035
+ 8000.000 0.0000040
+ 8200.000 0.0000043
+ 8400.000 0.0000046
+ 8700.000 0.0000051
+ 9000.000 0.0000056
+ 9150.000 0.0000058
+ 9600.000 0.0000065
+ 10000.000 0.0000072
+ 10400.000 0.0000083
+ 10650.000 0.0000090
+ 10850.000 0.0000096
+ 11200.000 0.0000106
+ 11650.000 0.0000119
+ 12000.000 0.0000129
+ 12400.000 0.0000140
+ 12800.000 0.0000152
+ 13096.000 0.0000161
+ 13250.000 0.0001910
+ 13700.000 0.0007024
+ 14300.000 0.0013843
+ 14800.000 0.0019525
+ 15300.000 0.0024295
+ 16000.000 0.0030124
+ 17200.000 0.0040115
+ 17900.000 0.0045943
+ 18400.000 0.0050106
+ 18900.000 0.0054269
+ 19400.000 0.0058432
+ 19800.000 0.0061763
+ 20000.000 0.0063428
+ 20500.000 0.0066666
+ 21000.000 0.0069904
+ 22100.000 0.0077027
+ 23200.000 0.0084151
+ 23700.000 0.0087389
+ 24200.000 0.0090626
+ 24600.000 0.0093217
+ 25000.000 0.0095807
+ 25700.000 0.0100340
+ 26200.000 0.0103578
+ 27200.000 0.0110054
+ 27500.000 0.0111997
+ 28300.000 0.0117177
+ 28800.000 0.0120416
+ 29300.000 0.0123653
+ 30000.000 0.0128186
+ 31100.000 0.0134665
+ 31800.000 0.0138789
+ 32099.998 0.0140556
+ 32800.000 0.0144679
+ 34200.000 0.0152925
+ 35000.000 0.0157637
+ 36200.000 0.0164705
+ 37000.000 0.0169417
+ 37900.000 0.0174718
+ 39100.000 0.0181786
+ 40000.000 0.0187088
+ 41000.000 0.0192434
+ 42000.000 0.0197780
+ 43000.000 0.0203125
+ 43800.000 0.0207403
+ 44300.000 0.0210076
+ 45200.000 0.0214887
+ 46000.000 0.0219164
+ 46398.000 0.0221118
+ 46800.000 0.0264436
+ 47300.000 0.0318099
+ 47600.000 0.0350296
+ 48200.000 0.0414691
+ 49000.000 0.0500551
+ 50000.000 0.0607877
+ 50900.000 0.0644711
+ 51200.000 0.0656990
+ 51500.000 0.0669268
+ 51922.000 0.0691088
+ 52200.000 0.0705462
+ 52500.000 0.0725882
+ 53500.000 0.0793949
+ 54200.000 0.0841596
+ 55000.000 0.0896049
+ 55700.000 0.0943695
+ 56100.000 0.0970922
+ 56700.000 0.1011800
+ 57100.000 0.1039000
+ 57900.000 0.1093400
+ 58300.000 0.1120700
+ 59100.000 0.1175100
+ 60000.000 0.1236400
+ 60300.000 0.1248800
+ 61200.000 0.1286200
+ 62000.000 0.1319500
+ 63200.000 0.1369300
+ 64199.996 0.1410900
+ 65000.000 0.1444100
+ 66100.000 0.1489800
+ 67000.000 0.1527200
+ 68000.000 0.1568700
+ 68900.000 0.1606100
+ 69400.000 0.1626900
+ 70000.000 0.1651800
+ 72000.000 0.1734900
+ 72500.000 0.1755700
+ 73100.000 0.1780600
+ 73700.000 0.1805500
+ 74100.000 0.1822100
+ 75000.000 0.1859500
+ 75800.000 0.1892800
+ 76500.000 0.1921800
+ 77000.000 0.1942600
+ 77600.000 0.1967500
+ 78400.000 0.2000800
+ 78900.000 0.2021500
+ 79400.000 0.2042300
+ 80000.000 0.2067200
+ 80700.000 0.2089600
+ 82000.000 0.2131000
+ 82051.000 0.2134200
+ 82700.000 0.2174600
+ 83300.000 0.2213400
+ 84000.000 0.2258600
+ 85000.000 0.2323200
+ 85300.000 0.2342600
+ 86100.000 0.2394300
+ 86800.000 0.2439600
+ 87500.000 0.2484800
+ 88300.000 0.2536500
+ 89000.000 0.2581800
+ 90000.000 0.2646400
+ 90300.000 0.2665800
+ 91200.000 0.2724000
+ 92800.000 0.2827400
+ 93600.000 0.2879100
+ 94400.000 0.2930800
+ 95000.000 0.2969600
+ 96000.000 0.3034200
+ 96800.000 0.3085900
+ 97700.000 0.3144100
+ 98500.000 0.3195800
+ 99300.000 0.3247500
+100000.000 0.3282900
+103440.000 0.3451100
+110000.000 0.3774700
+120000.000 0.4241500
+129850.008 0.4635100
+140000.000 0.5200600
+151150.000 0.5638000
+160000.000 0.6282200
+171430.000 0.6779800
+172140.000 0.6810700
+180000.000 0.7375600
+197950.000 0.8196900
+200000.000 0.8337600
diff --git a/sammy/samtry/tr190/data/data-2.dat b/sammy/samtry/tr190/data/data-2.dat
new file mode 100755
index 000000000..a78166332
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-2.dat
@@ -0,0 +1,12 @@
+TOTAL CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 400.000 1.367 0.538
+ 401.000 1.807 0.117
+ 403.000 1.163 0.081
+ 404.000 1.792 0.627
+ 405.000 1.778 0.480
+ 407.000 1.758 0.258
+ 408.000 1.251 0.465
+ 409.000 1.796 0.277
+ 410.000 1.293 0.551
+ 412.000 1.043 0.338
diff --git a/sammy/samtry/tr190/data/data-3.dat b/sammy/samtry/tr190/data/data-3.dat
new file mode 100755
index 000000000..446a57ccd
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-3.dat
@@ -0,0 +1,38 @@
+TOTAL CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 500.000 8.100 1.008
+ 501.000 8.700 1.008
+ 503.000 7.300 1.008
+ 504.000 0.600 1.001
+ 505.000 0.200 1.009
+ 507.000 0.200 1.003
+ 508.000 9.300 1.007
+ 509.000 7.000 1.007
+ 510.000 5.400 1.007
+ 512.000 5.900 1.009
+ 513.000 5.600 1.000
+ 514.000 5.800 1.007
+ 516.000 5.500 1.004
+ 517.000 5.100 1.006
+ 518.000 5.500 1.006
+ 520.000 7.800 1.009
+ 521.000 7.100 1.006
+ 522.000 1.800 1.005
+ 524.000 5.500 1.007
+ 525.000 8.600 1.004
+ 526.000 8.700 1.002
+ 528.000 2.500 1.009
+ 529.000 6.800 1.007
+ 531.000 9.000 1.004
+ 532.000 2.600 1.000
+ 533.000 8.500 1.008
+ 535.000 5.800 1.005
+ 536.000 7.200 1.007
+ 538.000 2.000 1.003
+ 539.000 9.900 1.003
+ 540.000 0.300 1.001
+ 542.000 3.800 1.002
+ 543.000 4.600 1.003
+ 545.000 1.500 1.001
+ 546.000 7.700 1.001
+
\ No newline at end of file
diff --git a/sammy/samtry/tr190/data/data-4.dat b/sammy/samtry/tr190/data/data-4.dat
new file mode 100755
index 000000000..ecaaa0b3a
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-4.dat
@@ -0,0 +1,23 @@
+TOTAL CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 500.000 4.700 1.385
+ 501.000 3.100 1.074
+ 503.000 9.500 1.864
+ 504.000 8.200 1.948
+ 505.000 9.100 1.861
+ 507.000 0.200 1.807
+ 508.000 7.400 1.788
+ 509.000 7.600 1.871
+ 510.000 3.000 1.856
+ 512.000 3.000 1.782
+ 513.000 4.800 1.715
+ 514.000 3.700 1.732
+ 516.000 2.200 1.597
+ 517.000 2.800 1.606
+ 518.000 8.800 1.958
+ 520.000 8.700 1.304
+ 521.000 9.600 1.339
+ 522.000 1.600 1.817
+ 524.000 7.600 1.114
+ 525.000 5.000 1.181
+
\ No newline at end of file
diff --git a/sammy/samtry/tr190/data/data-5.dat b/sammy/samtry/tr190/data/data-5.dat
new file mode 100644
index 000000000..99c48edc0
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-5.dat
@@ -0,0 +1,14 @@
+CAPTURE CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 4.000e+03 3.293e+00 3.227e-01
+ 7.500e+03 2.213e+00 8.408e-02
+ 1.250e+04 1.383e+00 2.766e-02
+ 1.750e+04 1.143e+00 1.829e-02
+ 2.500e+04 8.900e-01 9.790e-03
+ 3.500e+04 7.217e-01 7.939e-03
+ 5.000e+04 5.732e-01 5.732e-03
+ 7.000e+04 4.721e-01 4.721e-03
+ 9.000e+04 4.082e-01 4.490e-03
+ 1.100e+05 3.707e-01 4.448e-03
+ 1.350e+05 3.333e-01 4.666e-03
+ 1.750e+05 2.758e-01 4.136e-03
diff --git a/sammy/samtry/tr190/data/data-6.dat b/sammy/samtry/tr190/data/data-6.dat
new file mode 100644
index 000000000..9f2a9fe57
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-6.dat
@@ -0,0 +1,12 @@
+CAPTURE CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 1.125e+04 1.434e+00 8.892e-02
+ 1.375e+04 1.387e+00 7.908e-02
+ 1.750e+04 1.126e+00 3.828e-02
+ 2.250e+04 9.556e-01 2.771e-02
+ 2.750e+04 8.351e-01 2.088e-02
+ 3.500e+04 7.271e-01 1.309e-02
+ 4.500e+04 5.980e-01 1.017e-02
+ 5.500e+04 5.355e-01 9.104e-03
+ 7.000e+04 4.756e-01 7.134e-03
+ 9.000e+04 4.088e-01 1.022e-02
diff --git a/sammy/samtry/tr190/data/data-7.dat b/sammy/samtry/tr190/data/data-7.dat
new file mode 100644
index 000000000..c4332ff28
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-7.dat
@@ -0,0 +1,40 @@
+CAPTURE CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 3.500e+04 7.980e-01 3.700e-02
+ 3.700e+04 6.980e-01 3.700e-02
+ 4.600e+04 6.570e-01 3.200e-02
+ 5.000e+04 6.230e-01 3.200e-02
+ 6.700e+04 5.200e-01 2.600e-02
+ 7.400e+04 5.150e-01 2.600e-02
+ 9.300e+04 4.560e-01 2.300e-02
+ 1.360e+05 3.800e-01 1.700e-02
+ 1.540e+05 3.470e-01 1.800e-02
+ 1.630e+05 3.330e-01 1.600e-02
+ 1.750e+05 3.240e-01 1.600e-02
+ 1.920e+05 3.100e-01 1.600e-02
+ 2.070e+05 3.040e-01 1.500e-02
+ 2.160e+05 3.100e-01 1.500e-02
+ 2.420e+05 2.990e-01 1.400e-02
+ 2.510e+05 2.660e-01 1.400e-02
+ 2.820e+05 2.490e-01 1.200e-02
+ 2.880e+05 2.450e-01 1.200e-02
+ 3.220e+05 2.360e-01 1.200e-02
+ 3.260e+05 2.180e-01 1.200e-02
+ 3.700e+05 2.020e-01 1.200e-02
+ 4.170e+05 1.860e-01 1.000e-02
+ 4.290e+05 1.830e-01 1.000e-02
+ 4.650e+05 1.560e-01 8.000e-03
+ 4.760e+05 1.640e-01 8.000e-03
+ 5.040e+05 1.610e-01 8.000e-03
+ 5.120e+05 1.640e-01 8.000e-03
+ 5.570e+05 1.440e-01 7.000e-03
+ 5.580e+05 1.460e-01 7.000e-03
+ 7.120e+05 1.390e-01 2.900e-02
+ 7.900e+05 1.380e-01 2.200e-02
+ 8.830e+05 1.230e-01 2.000e-02
+ 9.550e+05 1.120e-01 1.800e-02
+ 9.800e+05 1.070e-01 1.700e-02
+ 1.900e+06 7.300e-02 1.000e-02
+ 2.000e+06 7.000e-02 1.000e-02
+ 4.160e+06 3.900e-02 3.000e-03
+ 5.110e+06 2.300e-02 3.000e-03
diff --git a/sammy/samtry/tr190/data/data-8.dat b/sammy/samtry/tr190/data/data-8.dat
new file mode 100644
index 000000000..9c5e4479b
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-8.dat
@@ -0,0 +1,34 @@
+CAPTURE CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 5.500e+03 3.079e+00 3.100e-01
+ 6.500e+03 2.564e+00 2.500e-01
+ 7.500e+03 2.316e+00 2.300e-01
+ 8.500e+03 2.079e+00 2.000e-01
+ 9.500e+03 1.970e+00 1.900e-01
+ 1.100e+04 1.633e+00 1.500e-01
+ 1.300e+04 1.426e+00 1.300e-01
+ 1.500e+04 1.237e+00 1.200e-01
+ 1.700e+04 1.168e+00 1.100e-01
+ 1.900e+04 1.089e+00 1.000e-01
+ 2.100e+04 1.030e+00 9.500e-02
+ 2.300e+04 9.662e-01 8.900e-02
+ 2.500e+04 8.830e-01 8.200e-02
+ 2.700e+04 8.622e-01 8.000e-02
+ 2.900e+04 8.048e-01 7.400e-02
+ 3.100e+04 7.484e-01 6.900e-02
+ 3.300e+04 7.454e-01 6.900e-02
+ 3.500e+04 7.355e-01 6.800e-02
+ 3.700e+04 7.088e-01 6.600e-02
+ 3.900e+04 6.652e-01 6.100e-02
+ 4.150e+04 6.227e-01 5.800e-02
+ 4.450e+04 5.959e-01 5.500e-02
+ 4.750e+04 5.623e-01 5.200e-02
+ 5.050e+04 5.445e-01 5.000e-02
+ 5.400e+04 5.138e-01 4.700e-02
+ 5.800e+04 4.880e-01 4.500e-02
+ 6.200e+04 4.722e-01 4.400e-02
+ 6.600e+04 4.613e-01 4.300e-02
+ 7.000e+04 4.474e-01 4.100e-02
+ 7.400e+04 4.346e-01 4.000e-02
+ 7.800e+04 4.217e-01 3.900e-02
+ 8.200e+04 4.069e-01 3.800e-02
diff --git a/sammy/samtry/tr190/data/data-9.dat b/sammy/samtry/tr190/data/data-9.dat
new file mode 100644
index 000000000..b22c8e22d
--- /dev/null
+++ b/sammy/samtry/tr190/data/data-9.dat
@@ -0,0 +1,18 @@
+CAPTURE CROSS SECTION
+ABSOLUTE UNCERTAINTY
+ 3.600e+03 0.160e+00 2.600e-01
+ 4.500e+03 0.110e+00 1.900e-01
+ 5.500e+03 0.160e+00 1.700e-01
+ 7.000e+03 0.110e+00 1.300e-01
+ 9.000e+03 0.180e+00 1.100e-01
+ 1.100e+04 0.140e+00 9.600e-02
+ 1.350e+04 0.130e+00 8.200e-02
+ 1.650e+04 0.100e+00 7.000e-02
+ 1.950e+04 0.100e+00 6.800e-02
+ 2.300e+04 0.170e-01 5.600e-02
+ 2.750e+04 0.110e-01 5.300e-02
+ 3.250e+04 0.130e-01 4.300e-02
+ 4.000e+04 0.100e-01 3.800e-02
+ 5.000e+04 0.100e-01 3.100e-02
+ 6.000e+04 0.160e-01 2.900e-02
+ 7.250e+04 0.130e-01 2.700e-02
diff --git a/sammy/samtry/tr190/urr-case.inp b/sammy/samtry/tr190/urr-case.inp
new file mode 100755
index 000000000..34a498251
--- /dev/null
+++ b/sammy/samtry/tr190/urr-case.inp
@@ -0,0 +1,7 @@
+Ta-181 Mid-E Capture -- 2mm, 150keV cutoff
+Ta-181 180.94799 300.00 120000.
+UNRESOLVED RESONANCE REGION
+USE ENERGY LIMITS AS GIVEN IN INPUT
+EXPERIMENTAL DATA ARE IN SEPERATE FILES
+ANNOTATED PARAMETER FILE FOR URR
+SOLVE BAYES EQUATIONS
diff --git a/sammy/samtry/tr190/urr-case.par b/sammy/samtry/tr190/urr-case.par
new file mode 100644
index 000000000..70149f938
--- /dev/null
+++ b/sammy/samtry/tr190/urr-case.par
@@ -0,0 +1,70 @@
+Ta-181 urr par file
+
+--------------------------
+ITERATIONS.= 2
+TOLERANCE. = 0.000005
+RADIUS = 7.860
+AW. = 180.947996
+
+--------------------------
+ELASTIC AND INELASTIC STATES
+ 0.0 3.5 1.0
+ 6237.0 4.5 -1.0
+ 136262.0 4.5 1.0
+ 158554.0 5.5 -1.0
+ 301622.0 5.5 1.0
+ 337540.0 6.5 -1.0
+ 482168.0 2.5 1.0
+ 495184.0 6.5 1.0
+ 542510.0 7.5 -1.0
+ 590060.0 3.5 1.0
+ 615190.0 0.5 1.0
+ 618990.0 1.5 1.0
+ 716659.0 7.5 1.0
+ 772970.0 8.5 -1.0
+ 892900.0 5.5 1.0
+ 965000.0 8.5 1.0
+ 994200.0 2.5 -1.0
+ 1022600.0 4.5 -1.0
+ 1028000.0 9.5 -1.0
+ 1085600.0 6.5 1.0
+ 1163600.0 6.5 -1.0
+ 1205700.0 1.5 1.0
+ 1239470.0 9.5 1.0
+ 1278100.0 2.5 1.0
+ 1304800.0 7.5 1.0
+ 1307110.0 10.5 -1.0
+
+--------------------------
+BINDING ENERGY (in MeV) = 7.57680000
+PAIRING ENERGY (in MeV) = 0.73000000
+
+--------------------------
+STRENGTH DEL_S DISTANT DEL_D GAM_WIDTH DEL_G BETHED
+ 0.000158 0.000010 -0.002406 0.000718 0.067859 0.001285 4.099583
+ 0.000050 0.000020 0.000000 0.000000 0.067859 0.001285
+ 0.000430 0.000020 0.000000 0.000000 0.067859 0.001285
+
+--------------------------
+MINIMUM ENERGY in eV = 2000.0
+ENERGY MAXIMUM in eV = 100000.0
+
+END OF RESONANCE PARAMETER DESCRIPTION
+--------------------------
+NORMALIZATIONS
+CAPTURE 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+CAPTURE 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+TOTAL 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+TOTAL 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+TOTAL 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+CAPTURE 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+CAPTURE 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+CAPTURE 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+CAPTURE 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+CAPTURE 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+CAPTURE 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+CAPTURE 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+CAPTURE 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+TOTAL 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+TOTAL 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
+INELASTIC 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
diff --git a/sammy/src/acs/macs5.f b/sammy/src/acs/macs5.f
index b8d6c769f..b2d521fa4 100644
--- a/sammy/src/acs/macs5.f
+++ b/sammy/src/acs/macs5.f
@@ -152,7 +152,7 @@ C
* 'data06.odf ', 'data07.odf ', 'data08.odf ',
* 'data09.odf ', 'data10.odf ', 'data11.odf ',
* 'data12.odf ', 'data13.odf ', 'data14.odf ',
- * 'data15.odf ', 'data15.odf ', 'data16.odf ',
+ * 'data15.odf ', 'data16.odf ', 'data17.odf ',
* 'data18.odf ', 'data19.odf ', 'data20.odf ',
* 'data21.odf ', 'data22.odf ', 'data23.odf ',
* 'data24.odf ', 'data25.odf ', 'data26.odf ',
diff --git a/sammy/src/fff/mfff9.f b/sammy/src/fff/mfff9.f
index 79d0687a1..9aa747a15 100644
--- a/sammy/src/fff/mfff9.f
+++ b/sammy/src/fff/mfff9.f
@@ -230,7 +230,7 @@ C
* 'data06.odf ', 'data07.odf ', 'data08.odf ',
* 'data09.odf ', 'data10.odf ', 'data11.odf ',
* 'data12.odf ', 'data13.odf ', 'data14.odf ',
- * 'data15.odf ', 'data15.odf ', 'data16.odf ',
+ * 'data15.odf ', 'data16.odf ', 'data17.odf ',
* 'data18.odf ', 'data19.odf ', 'data20.odf ',
* 'data21.odf ', 'data22.odf ', 'data23.odf ',
* 'data24.odf ', 'data25.odf ', 'data26.odf ',
--
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