[Ifeffit] linear combination using program code of athena

[Bernd Griesebock]

Hi all,

I have a little problem using ifeffit with program code taken from athena.
I try to make some linear combination calculations. Using Athena it
works but using the code with ifeffit, I get some errors. Everything
works fine untill the following lines:

unguess
erase @group l___cf
set l___cf.eee = rh.energy+0
set l___cf_npts = npts(l___cf.energy)
set l___cf.data = splint(l___cf.eee,  rh.flat, l___cf.energy)

** cannot set scalar value to array **
    l___cf.data = splint(l___cf.eee,rh.flat,l___cf.energy)

The problem here seems to be the array "l___cf.energy". It is empty and
I never found some declarations for it. At the beginning of my program I
also load all macros athena is loading. Someone have an idea what is
wrong with that code?

Thank you for help, best regards
Bernd

P.S. If it helps, here is the complete code for ifeffit of my perl program:

# load macros

ifeffit(" load(/root/.ifeffit/macros.iff)");

#get standards

ifeffit(" read_data(file = /home/promo/Cu/pics/test/Cu.txt.spek,
group=\"cu\", label = 'energy_KeV xmu')");
ifeffit(" set cu.energy = cu.energy_KeV * 1000");
ifeffit(" set ___n = npts(cu.energy_KeV)");
ifeffit(" pre_edge(\"cu.energy+0\", cu.xmu, e0=8979.1, pre1=-150,
pre2=-30, norm_order=3, norm1=150, norm2=430)");
ifeffit(" spline(\"cu.energy+0\", cu.xmu, e0=8979.1, rbkg=1.0, kmin=0.5,
kmax=12, kweight=1, dk=2, kwindow=kaiser-bessel, \
           pre1=-150, pre2=-30, norm_order=3, norm1=150, norm2=430,
interp=quad)");
ifeffit(" set cu.preline = pre_offset + pre_slope * (cu.energy + 0)");
ifeffit(" set cu.postline = norm_c0 + norm_c1 * (cu.energy + 0.000000) +
norm_c2 * (cu.energy + 0.000000)**2");
ifeffit(" step cu.energy e0 cu.theta");
ifeffit(" set flat_c0 = norm_c0 - pre_offset");
ifeffit(" set flat_c1 = norm_c1 - pre_slope");
ifeffit(" set flat_c2 = norm_c2");
ifeffit(" set cu.line = (flat_c0 + flat_c1 * (cu.energy+0) + flat_c2 *
(cu.energy+0)**2)");
ifeffit(" set cu.flat = (cu.pre + (edge_step - cu.line) * cu.theta) /
edge_step");
ifeffit(" set cu.fbkg =
(cu.bkg-cu.preline+(edge_step-cu.line)*cu.theta)/edge_step");

ifeffit(" read_data(file = /home/promo/Cu/pics/test/CuO.txt.spek,
group=\"cuo\", label = 'energy_KeV xmu')");
ifeffit(" set cuo.energy = cuo.energy_KeV * 1000");
ifeffit(" set ___n = npts(cuo.energy_KeV)");
ifeffit(" pre_edge(\"cuo.energy+0\", cuo.xmu, e0=8991.6, pre1=-150,
pre2=-30, norm_order=3, norm1=150, norm2=430)");
ifeffit(" spline(\"cuo.energy+0\", cuo.xmu, e0=8991.6, rbkg=1.0,
kmin=0.5, kmax=12, kweight=1, dk=2, kwindow=kaiser-bessel, \
           pre1=-150, pre2=-30, norm_order=3, norm1=150, norm2=430,
interp=quad)");
ifeffit(" set cuo.preline = pre_offset + pre_slope * (cuo.energy + 0)");
ifeffit(" set cuo.postline = norm_c0 + norm_c1 * (cuo.energy + 0.000000)
+ norm_c2 * (cuo.energy + 0.000000)**2");
ifeffit(" step cuo.energy e0 cuo.theta");
ifeffit(" set flat_c0 = norm_c0 - pre_offset");
ifeffit(" set flat_c1 = norm_c1 - pre_slope");
ifeffit(" set flat_c2 = norm_c2");
ifeffit(" set cuo.line = (flat_c0 + flat_c1 * (cuo.energy+0) + flat_c2 *
(cuo.energy+0)**2)");
ifeffit(" set cuo.flat = (cuo.pre + (edge_step - cuo.line) * cuo.theta)
/ edge_step");
ifeffit(" set cuo.fbkg =
(cuo.bkg-cuo.preline+(edge_step-cuo.line)*cuo.theta)/edge_step");

ifeffit(" read_data(file = /home/promo/Cu/pics/test/Cu2O.txt.spek,
group=\"cu2o\", label = 'energy_KeV xmu')");
ifeffit(" set cu2o.energy = cu2o.energy_KeV * 1000");
ifeffit(" set ___n = npts(cu2o.energy_KeV)");
ifeffit(" pre_edge(\"cu2o.energy+0\", cu2o.xmu, e0=8980.6,  pre1=-150,
pre2=-30, norm_order=3, norm1=150, norm2=430)");
ifeffit(" spline(\"cu2o.energy+0\", cu2o.xmu, e0=8980.6, rbkg=1.0,
kmin=0.5, kmax=12, kweight=1, dk=2, kwindow=kaiser-bessel, \
           pre1=-150, pre2=-30, norm_order=3, norm1=150, norm2=430,
interp=quad)");
ifeffit(" set cu2o.preline = pre_offset + pre_slope * (cu2o.energy + 0)");
ifeffit(" set cu2o.postline = norm_c0 + norm_c1 * (cu2o.energy +
0.000000) + norm_c2 * (cu2o.energy + 0.000000)**2");
ifeffit(" step cu2o.energy e0 cu2o.theta");
ifeffit(" set flat_c0 = norm_c0 - pre_offset");
ifeffit(" set flat_c1 = norm_c1 - pre_slope");
ifeffit(" set flat_c2 = norm_c2");
ifeffit(" set cu2o.line = (flat_c0 + flat_c1 * (cu2o.energy+0) + flat_c2
* (cu2o.energy+0)**2)");
ifeffit(" set cu2o.flat = (cu2o.pre + (edge_step - cu2o.line) *
cu2o.theta) / edge_step");
ifeffit(" set cu2o.fbkg =
(cu2o.bkg-cu2o.preline+(edge_step-cu2o.line)*cu2o.theta)/edge_step");

#get data

ifeffit(" read_data(file = /tmp/spektrum$i.dat, group=\"rh\", label =
'energy_KeV xmu')");
ifeffit(" set rh.energy = rh.energy_KeV * 1000");
ifeffit(" set ___n = npts(rh.energy_KeV)");
ifeffit(" pre_edge(\"rh.energy+0\", rh.xmu, pre1=-150, pre2=-30,
norm_order=3, norm1=150, norm2=430)");
ifeffit(" spline(\"rh.energy+0\", rh.xmu, rbkg=1.0, kmin=0.5, kmax=12,
kweight=1, dk=2, kwindow=kaiser-bessel, \
           pre1=-150, pre2=-30, norm_order=3, norm1=150, norm2=430,
interp=quad)");
$estart = get_scalar("e0");
ifeffit(" set rh.preline = pre_offset + pre_slope * (rh.energy + 0)");
ifeffit(" set rh.postline = norm_c0 + norm_c1 * (rh.energy + 0.000000) +
norm_c2 * (rh.energy + 0.000000)**2");
ifeffit(" step rh.energy e0 rh.theta");
ifeffit(" set flat_c0 = norm_c0 - pre_offset");
ifeffit(" set flat_c1 = norm_c1 - pre_slope");
ifeffit(" set flat_c2 = norm_c2");
ifeffit(" set rh.line = (flat_c0 + flat_c1 * (rh.energy+0) + flat_c2 *
(rh.energy+0)**2)");
ifeffit(" set rh.flat = (rh.pre + (edge_step - rh.line) * rh.theta) /
edge_step");
ifeffit(" set rh.fbkg =
(rh.bkg-rh.preline+(edge_step-rh.line)*rh.theta)/edge_step");

ifeffit(" set &status = 0");
ifeffit(" erase delta_e1 delta_w1 delta_ww1");
ifeffit(" erase delta_e2 delta_w2 delta_ww2");
ifeffit(" erase delta_e3 delta_w3 delta_ww3");
ifeffit(" erase delta_e4 delta_w4 delta_ww4");
ifeffit(" erase delta_yint delta_slope");

# performing linear combination fit in norm(E)

ifeffit(" unguess");
ifeffit(" erase \@group l___cf");
ifeffit(" set l___cf.eee = rh.energy+0");

ifeffit(" set l___cf_npts = npts(l___cf.energy)");
ifeffit(" set l___cf.data = splint(l___cf.eee, rh.flat, l___cf.energy)");


ifeffit(" guess e1 = 0");
ifeffit(" guess ww1 = 0.333");
ifeffit(" def w1 = max(0,min(ww1,1))");
ifeffit(" def l___cf.1 = abs(w1)*splint(cu.energy+e1+0.00, cu.flat,
l___cf.energy)");

ifeffit(" def e2 = e1");
ifeffit(" guess ww2 = 0.333");
ifeffit(" def w2 = max(0,min(ww2,1))");
ifeffit(" def l___cf.2 = abs(w2)*splint(cuo.energy+e2+0.00, cuo.flat,
l___cf.energy)");

ifeffit(" def w3 = max(0, 1 - (w1+w2))");
ifeffit(" def e3 = e1");
ifeffit(" def l___cf.3 = w3*splint(cu20.energy+e3+0.00, cu2o.flat,
l___cf.energy)");
ifeffit(" def l___cf.mix = l___cf.1 + l___cf.2 + l___cf.3");
ifeffit(" def l___cf.resid = l___cf.mix - l___cf.data");
$xmin = $estart - 20;
$xmax = $estart + 30;
ifeffit(" minimize(l___cf.resid, x=l___cf.energy, $xmin, $xmax)");

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