sqt comparison check with some questionmarks for the sqt sewction ind... (9214fee6) · Commits · Zolnierczuk, Piotr / DrSPINE

sources/data_types.f90

+37 −1

Original line number	Diff line number	Diff line
		@@ -1024,6 +1024,7 @@ CONTAINS
		!
		real(kind=DBL) :: xtmp ! tmp variable
		real(kind=DBL) :: tau, qabs
		real(kind=DBL) :: ud_err2

		!!!>>> preliminary hint >>> !!!
		if(present(ps_background)) then
		@@ -1170,17 +1171,52 @@ CONTAINS
		+ (ps_reference%calibration_factor%value/ps_reference%amplitude%value)*2 ps_sample%amplitude%sigma2 &
		+ (sofqt/ps_reference%amplitude%value)*2 ps_reference%amplitude%sigma2

		!! >>new>> OK? !!!??????!!
		sofqt = ( 2*ps_sample%amplitude%value / ps_sample%resolution%value )
		sofqt_err2 = (1d0/ ps_sample%resolution%value*2)( 4ps_sample%amplitude%sigma2 + ps_sample%resolution%sigma2 sofqt**2)
		!! <<new<< !!!?????!!


		! -- and determine the appropriate weight
		delta2 = sofqt_err2
		delta2_n = sqt%tq_bin(it,iq)%sqt_err2

		! ?? ud_err2 = ps_sample%up%sigma2+ps_sample%down%sigma2
		! ?? delta2 = (1d0/ud_err2*2)(sofqt_err2 + ud_err2 * (sofqt/(ps_sample%up%value-ps_sample%down%value))**2)


		if(delta2_n > 0.0_DBL) then
		ws = delta2_n / (delta2_n + delta2)
		else
		ws = 1.0_DBL
		endif

		! -- then combine the results for this item
		! ?? write(*,'(a,i8,2i5,5e15.7,2x,f12.6)') "Tw: ",sqt%update_counter ,it,iq, w, ws, sofqt, sofqt_err2, ud_err2, w/ws-1

		!! (mm) overriding the previous weigth setting by the fqt weigt setting
		!! this seems to be required to yiled consistent results
		!! Is there an error in the above implementation of ws or is this an intrinsic feature?
		!! CHECK! TBD
		!!
		ws = w !!! ??
		!! ====== ATTENTION CHECK

		!! -- then combine the results for this item
		! (Check whether udratioRes is present or must be computed !:.)


		!! >>new>> OK? !!!?????? (either here or above but not both !! !

		!!? sqt%tq_bin(it,iq)%updown = (1.0_DBL-ws) *sqt%tq_bin(it,iq)%updown &
		!!? + ws*(ps_sample%up%value-ps_sample%down%value)
		!!? sqt%tq_bin(it,iq)%updown_var = (1.0_DBL-ws) *sqt%tq_bin(it,iq)%updown_var &
		!!? + ws(ps_sample%up%value-ps_sample%down%value)*2
		!!? sqt%tq_bin(it,iq)%updown_err2 = (1.0_DBL-ws)*2 sqt%tq_bin(it,iq)%updown_err2 &
		!!? + ws*2 (ps_sample%up%sigma2+ps_sample%down%sigma2)
		!! <<new<< !!!?????!!


		!--
		sqt%tq_bin(it,iq)%sqt = (1.0_DBL-ws) sqt%tq_bin(it,iq)%sqt + ws sofqt
		sqt%tq_bin(it,iq)%sqt_var = (1.0_DBL-ws) sqt%tq_bin(it,iq)%sqt_var + ws sofqt**2
		sqt%tq_bin(it,iq)%sqt_err2 = (1.0_DBL-ws)*2 sqt%tq_bin(it,iq)%sqt_err2 + ws*2 sofqt_err2

sources/drspine.f90

+15 −3

Original line number	Diff line number	Diff line
		@@ -3304,6 +3304,8 @@ se: if(found('close') .or. found('end')) then
		double precision , allocatable :: tau(:)
		double precision , allocatable :: fqt(:)
		double precision , allocatable :: fqt_err(:)
		double precision , allocatable :: fqt_alt(:) !! >>new>>
		double precision , allocatable :: fqt_alt_err(:) !! <<new<<
		! type(namedvalue_struct) , allocatable :: q_values(:) ! paz - unused variable
		double precision , allocatable :: deff(:)
		double precision , allocatable :: deff_err(:)
		@@ -3396,6 +3398,8 @@ se: if(found('close') .or. found('end')) then
		allocate( tau ( mt ) )
		allocate( fqt ( mt ) )
		allocate( fqt_err ( mt ) )
		allocate( fqt_alt ( mt ) ) !! >>new>>
		allocate( fqt_alt_err( mt ) ) !! <<new>>
		!? allocate( q_values ( mq ) )
		allocate( deff ( mq ) )
		allocate( deff_err ( mq ) )
		@@ -3440,8 +3444,8 @@ se: if(found('close') .or. found('end')) then
		"\bf \large "//trim(comment)//"\\ "// &
		" With direct background subtraction"//& !: transmission factor= "//tex_scientific_number_fmt(tfac,4)//&
		" volfrac=TBD!! "& !!mm //tex_scientific_number_fmt(volfrac,4) &
		//"("//tex_integer_number_fmt(coll_data%direct_bgr_subtracted ,4)//"," &
		//tex_integer_number_fmt(coll_data%update_counter ,4)//")" &
		//"("//tex_integer_number_fmt(coll_data%direct_bgr_subtracted ,0)//"," &
		//tex_integer_number_fmt(coll_data%update_counter ,0)//")" &
		)
		elseif(nint(bgr_flag) > 0) then
		call tex_colored_box(1d0,1d0,"cyan", &
		@@ -3551,7 +3555,15 @@ ntl: do i=0, nt
		tau(ii) = cdX%tq_bin(i,j)%fqt_tau/NS
		fqt(ii) = cdX%tq_bin(i,j)%fqt
		fqt_err(ii) = sqrt(abs(cdX%tq_bin(i,j)%fqt_err2))

		fqt_alt(ii) = cdX%tq_bin(i,j)%sqt/(cdX%tq_bin(i,j)%updown) !! test >>new>>
		fqt_alt_err(ii) =sqrt ((1d0/cdX%tq_bin(i,j)%updown*2) & !! test >>new>>
		(cdX%tq_bin(i,j)%sqt_err2 + fqt_alt(ii)*2 cdX%tq_bin(i,j)%updown_err2)) !! test >>new>>


		if(verbose) write(,)"TEST: ntl ", j, i, ii, tau(ii), fqt(ii)
		write(,)"TEST NTL: ",j,i,ii, tau(ii), fqt(ii), fqt_alt(ii) , cdX%tq_bin(i,j)%sqt, cdX%tq_bin(i,j)%updown !!TEST!! defintion/role of updown??

		end do ntl
		ntx = ii

		@@ -3563,7 +3575,7 @@ ntxi: if(ntx>ntxmin) then
		call tex(trim(buf1))

		call add_plot_curdat(n= ntx, xval=tau, yval=fqt, yerrors=fqt_err,more= "only marks ")
		! fitting curve with simple streched exponential
		call add_plot_curdat(n= ntx, xval=tau, yval=fqt_alt , yerrors=fqt_alt_err,more= "only marks ") !!TEST!! fitting curve with simple streched exponential
		a0 = fqt(1)
		if(.not. fit_a0) then
		a0 = a0_start

sources/texology.f90

+1 −0

Original line number	Diff line number	Diff line
		@@ -621,6 +621,7 @@ contains

		write(cbuffer,'(i0.0)')digits
		fmt = '(i'//trim(cbuffer)//'.1)'
		if(digits==0) fmt = "(i0)"
		write(cbuffer,fmt) val

		tex_integer_number_fmt = cbuffer