Context Navigation

LakeDesmearing_JB.ipf @ 399

Last change on this file since 399 was 379, checked in by srkline, 15 years ago
Removed Angstrom symbol (Mac code) and replaced it with simply a capital "A" so strange symbols won't appear anymore on Win.
Property eol-style set to `native`
File size: 49.5 KB

Line
1	#pragma rtGlobals=1 // Use modern global access method.
2	#pragma Version=2.20
3	#pragma IgorVersion=6.0
4
5	//////////////////////////////////////////////
6	// Igor conversion: 03 FEB 06 SRK
7	// Revision: 03 MAR 06 SRK
8	//
9	// Program uses Lake's iterative technique, J. A. Lake, Acta Cryst. 23 (1967) 191-4.
10	// to DESMEAR Infinite slit smeared USANS DATA.
11	//
12	// TO SEE DESCRIPTION, CHECK COMPUTER SOFTWARE LOGBOOK, P13,41-46, 50
13	// J. BARKER, August, 2001
14	// Switches from fast to slow convergence near target chi JGB 2/2003
15	//
16	// steps are:
17	// load
18	// mask
19	// extrapolate (find the power law of the desmeared set = smeared -1)
20	// smooth (optional)
21	// desmear based on dQv and chi^2 target
22	// save result
23	//
24	/////////
25	// Waves produced at each step: (Q/I/S with the following extensions)
26	//
27	// Load: Uses -> nothing (Kills old waves)
28	// Produces -> "_exp" and "_exp_orig"
29	//
30	// Mask: Uses -> "_exp"
31	// Produces -> "_msk"
32	//
33	// Extrapolate: Uses -> nothing
34	// Produces -> nothing
35	//
36	// Smooth: Uses -> "_smth" OR "_msk" OR "_exp" (in that order)
37	// Produces -> "_smth"
38	//
39	// Desmear: Uses -> "_smth" OR "_msk" OR "_exp" (in that order)
40	// Produces -> "_dsm"
41	//
42	////////
43
44	///*** TO FIX *****
45	// - ? power law + background extrapolation (only useful for X-ray data...)
46	//
47	// see commented code lines for Igor 4 or Igor 5
48	// - there are only a few options and calls that are not Igor 4 compatible.
49	// Igor 4 routines are currently used.
50
51
52	////////////////////////////////////////////////////////////////////////
53
54	// main entry routine
55	Proc Desmear()
56	//check for the correct data folder, initialize if necessary
57	//
58	if(DataFolderExists("root:DSM") == 0)
59	Execute "Init_Desmearing()"
60	endif
61
62	//always initialize these
63	String/G root:DSM:gStr1 = ""
64	String/G root:DSM:gStr2 = ""
65	String/G root:DSM:gIterStr = ""
66
67	DoWindow/F Desmear_Graph
68	if(V_flag==0)
69	Execute "Desmear_Graph()"
70	endif
71	End
72
73	Proc Init_Desmearing()
74	//set up the folder(s) needed
75	NewDataFolder/O root:DSM
76	NewDataFolder/O root:myGlobals //in case it wasn't created elsewhere
77
78	String/G root:DSM:gCurFile=""
79
80	Variable/G root:DSM:gMaxFastIter = 100 //max number of iter in Fast convergence
81	Variable/G root:DSM:gMaxSlowIter = 10000
82
83	Variable/G root:DSM:gNptsExtrap = 10 //points for high q extrapolation
84	Variable/G root:DSM:gChi2Target = 1 //chi^2 target
85	Variable/G root:DSM:gPowerM = -4
86	Variable/G root:DSM:gDqv = 0.117 //2005 measured slit height - see John
87	Variable/G root:DSM:gNq = 1
88	Variable/G root:DSM:gS = 0 // global varaible for Midpnt()
89	Variable/G root:DSM:gSmoothFac=0.03
90
91	Variable/G root:DSM:gChi2Final = 0 //chi^2 final
92	Variable/G root:DSM:gIterations = 0 //total number of iterations
93
94	String/G root:DSM:gStr1 = "" //information strings
95	String/G root:DSM:gStr2 = ""
96	String/G root:DSM:gIterStr = ""
97	Variable/G root:DSM:gChi2Smooth = 0
98
99	Variable/G root:DSM:gFreshMask=1
100	End
101
102	//////////// Lake desmearing routines
103
104	// Smears guess Y --> YS using weighting array
105	Function DSM_Smear(Y_wave,Ys,NQ,FW)
106	Wave Y_wave,Ys
107	Variable nq
108	Wave FW
109
110	Variable ii,jj,summ
111	for(ii=0;ii<nq;ii+=1)
112	summ=0
113	for(jj=0;jj<nq;jj+=1)
114	summ = summ + Y_wave[jj]*FW[ii][jj]
115	endfor
116	Ys[ii] = summ
117	endfor
118
119	Return (0)
120	End
121
122	// CALCULATES CHI^2
123	FUNCTION CHI2(ys_new,ys_exp,w,NQ)
124	Wave ys_new,ys_exp,w
125	Variable nq
126
127	Variable CHI2,summ,ii
128
129	SUMm = 0.0
130	for(ii=0;ii<nq;ii+=1)
131	// if(numtype(YS_EXP[ii]) == 0 && numtype(YS_NEW[ii]) == 0)
132	SUMm=SUMm+W[ii]*(YS_EXP[ii]-YS_NEW[ii])^2
133	// endif
134	endfor
135
136	CHI2=SUMm/(NQ-1)
137
138	RETURN CHI2
139	END
140
141	// Routine calculates the weights needed to convert a table
142	// representation of a scattering function I(q) into the infinite
143	// slit smeared table represented as Is(q)
144	// Is(qi) = Sum(j=i-n) Wij*I(qj)
145	// Program assumes data is extrapolated from qn to dqv using powerlaw
146	// I(q) = Aq^m
147	// Required input:
148	// N : Number of data points {in Global common block }
149	// q(N) : Array of q values {in Global common block }
150	// dqv : Limit of slit length {in Global common block }
151	// m : powerlaw for extrapolation.
152	//
153	// Routine output:
154	// W(N,N) : Weights array
155	//
156	// The weights obtained from this routine can be used to calculate
157	// Is(q) for any I(q) function.
158	//
159	// Calculation based upon linear interpolation between points.
160	// See p.44, Computer Software Log book.
161	// 11/00 JGB
162	Function Weights_L(m,FW,Q_exp) //changed input w to FW (FW is two dimensional)
163	Variable m
164	Wave FW,Q_exp
165
166	NVAR dqv = root:DSM:gDqv
167	NVAR NN = root:DSM:gNq
168
169	// Calculate Remainder fractions and put into separate array.
170	Variable lower,ii,ss,jj
171	Duplicate/O Q_exp root:DSM:R_wave
172	wave r_wave = root:DSM:R_wave
173
174	// Make/O/D/N=75 root:DSM:SS_save //debug
175	// wave SS_save = root:DSM:SS_save
176
177	Print "calculating remainders by integration..."
178	for(ii=0;ii<NN-1;ii+=1)
179	lower = sqrt(Q_exp[NN-1]^2-Q_exp[ii]^2)
180	ss = Qromo(lower,dqv,Q_exp[ii],m) //new parameter list for Qromo call
181	// SS_save[ii] = ss
182	R_wave[ii] = (Q_exp[NN-1]^(-m)/dqv)*SS
183	// Printf "I = %d R_wave[ii] =%g\r",ii,R_wave[ii]
184	endfor
185
186	lower = 0.0
187	ss = Qromo(lower,dqv,Q_exp[NN-1],m) //new parameter list for Qromo call
188	R_wave[NN-1] = (Q_exp[NN-1]^(-m)/dqv)*SS
189	// Printf "I = %d R_wave[ii] =%g\r",NN-1,R_wave[NN-1]
190	// SS_save[ii] = ss
191
192	// Make/O/D/N=(75,75) root:DSM:IG_save //debug
193	// wave IG_save=root:DSM:IG_save
194
195	// Zero weight matrix... then fill it
196	FW = 0
197	Print "calculating full weights...."
198	// Calculate weights
199	for(ii=0;ii<NN;ii+=1)
200	for(jj=ii+1;jj<NN-1;jj+=1)
201	FW[ii][jj] = DU(ii,jj)*(1.0+Q_exp[jj]/(Q_exp[jj+1]-Q_exp[jj]))
202	FW[ii][jj] -= (1.0/(Q_exp[jj+1]-Q_exp[jj]))*IG(ii,jj)
203	FW[ii][jj] -= DU(ii,jj-1)*Q_exp[jj-1]/(Q_exp[jj]-Q_exp[jj-1])
204	FW[ii][jj] += (1.0/(Q_exp[jj]-Q_exp[jj-1]))*IG(ii,jj-1)
205	FW[ii][jj] *= (1.0/dqv)
206	// Printf "FW[%d][%d] = %g\r",ii,jj,FW[ii][jj]
207	endfor
208	endfor
209	//
210	// special case: I=J,I=N
211	for(ii=0;ii<NN-1;ii+=1)
212	FW[ii][ii] = DU(ii,ii)*(1.0+Q_exp[ii]/(Q_exp[ii+1]-Q_exp[ii]))
213	FW[ii][ii] -= (1.0/(Q_exp[ii+1]-Q_exp[ii]))*IG(ii,ii)
214	FW[ii][ii] *= (1.0/dqv)
215	// Printf "FW[%d][%d] = %g\r",ii,jj,FW[ii][jj]
216	// following line corrected for N -> NN-1 since Igor indexes from 0! (Q_exp[NN] DNE!)
217	FW[ii][NN-1] = -DU(ii,NN-2)*Q_exp[NN-2]/(Q_exp[NN-1]-Q_exp[NN-2])
218	FW[ii][NN-1] += (1.0/(Q_exp[NN-1]-Q_exp[NN-2]))*IG(ii,NN-2)
219	FW[ii][NN-1] *= (1.0/dqv)
220	FW[ii][NN-1] += R_wave[ii]
221	// Printf "FW[%d][%d] = %g\r",ii,NN-1,FW[ii][NN-1]
222	endfor
223	//
224	// special case: I=J=N
225	FW[NN-1][NN-1] = R_wave[NN-1]
226	//
227	SetDataFolder root:
228	Return (0)
229	End
230
231	////
232	Function Integrand_dsm(u,qi,m)
233	Variable u,qi,m
234
235	Variable integrand
236	Integrand = (u^2+qi^2)^(m/2)
237	return integrand
238	end
239
240	///
241	Function DU(ii,jj)
242	Variable ii,jj
243
244	Wave Q_exp = root:DSM:Q_exp
245	Variable DU
246
247	// Wave DU_save=root:DSM:DU_save
248	If (ii == jj)
249	DU = sqrt(Q_exp[jj+1]^2-Q_exp[ii]^2)
250	Else
251	DU = sqrt(Q_exp[jj+1]^2-Q_exp[ii]^2) - sqrt(Q_exp[jj]^2-Q_exp[ii]^2)
252	EndIf
253
254	// DU_save[ii][jj] = DU
255	Return DU
256	End
257
258	Function IG(ii,jj)
259	Variable ii,jj
260
261	Wave Q_exp=root:DSM:Q_exp
262	Variable IG,UL,UU
263
264	// WAVE IG_save = root:DSM:IG_save
265	If (ii == jj)
266	UL=0.0
267	Else
268	UL=sqrt(Q_exp[jj]^2-Q_exp[ii]^2)
269	EndIf
270	UU=sqrt(Q_exp[jj+1]^2-Q_exp[ii]^2)
271
272	//in FORTRAN log = natural log....
273	IG = UUQ_exp[jj+1]+Q_exp[ii]^2ln(UU+Q_exp[jj+1])
274	IG -= UL*Q_exp[jj]
275	IG -= Q_exp[ii]^2*ln(UL+Q_exp[jj])
276	IG *= 0.5
277	// IG_save[ii][jj] = IG
278
279	Return IG
280	End
281
282	//
283	Function FF(ii,jj)
284	Variable ii,jj
285
286	Variable FF
287	NVAR dqv = root:DSM:gDqv
288
289	FF = (1.0/dqv)*(0.5+HH(ii,jj))
290	Return FF
291	End
292
293	//
294	Function GG(ii,jj)
295	Variable ii,jj
296
297	Variable GG
298	NVAR dqv = root:DSM:gDqv
299
300	GG = (1.0/dqv)*(0.5-HH(ii,jj))
301	Return GG
302	End
303	//
304	Function HH(ii,jj)
305	Variable ii,jj
306
307	Wave Q_exp=root:DSM:Q_exp
308	Variable HH
309
310	HH = 0.5*(Q_exp[jj+1]+Q_exp[jj])/(Q_exp[jj+1]-Q_exp[jj])
311	HH -= (1.0/(Q_exp[jj+1]-Q_exp[jj]))*(CC(ii,jj+1)-CC(ii,jj))
312	return HH
313	End
314	//
315	//
316	Function CC(ii,jj)
317	Variable ii,jj
318
319	wave Q_exp = root:DSM:Q_exp
320	Variable CC
321
322	If (ii == jj)
323	CC = 0.0
324	Else
325	CC = (Q_exp[jj]-Q_exp[ii])^0.5
326	EndIf
327	Return CC
328	End
329
330	// QROMO is a gerneric NR routine that takes function arguments
331	// Call Qromo(Integrand,lower,dqv,Q_exp(N),m,SS,Midpnt)
332	// -- here, it is always called with Integrand and Midpnt as the functions
333	// -- so rewrite in a simpler way....
334	//
335	// SS is the returned value?
336	// H_wave, S_wave (original names H,S)
337	//
338	// modified using c-version in NR (pg 143)
339	Function QROMO(A,B,qi,m)
340	Variable A,B,qi,m
341
342	Variable EPS,JMAX,JMAXP,KM,K
343	EPS=1.E-6
344	JMAX=14
345	KM=4
346	K=KM+1
347
348	Make/O/D/N=(JMAX) root:DSM:S_wave
349	Make/O/D/N=(JMAX+1) root:DSM:H_wave
350	wave S_wave=root:DSM:S_wave
351	wave H_wave=root:DSM:H_wave
352	S_wave=0
353	H_wave=0
354
355	H_Wave[0] = 1
356
357	variable jj,SS,DSS
358
359	for(jj=0;jj<jmax;jj+=1)
360	S_wave[jj] = Midpnt(A,B,jj,qi,m) //remove FUNC, always call Integrand from within Midpnt
361	IF (jj>=KM) //after 1st 5 points calculated
362	POLINT(H_wave,S_wave,jj-KM,KM,0.0,SS,DSS) //ss, dss returned
363	IF (ABS(DSS) < EPS*ABS(SS))
364	RETURN ss
365	endif
366	ENDIF
367	// S_wave[jj+1]=S_wave[jj]
368	H_wave[jj+1]=H_wave[jj]/9.
369	endfor
370
371	DoAlert 0,"Too many steps in QROMO"
372	return 1 //error if you get here
373	END
374
375	//
376	// see NR pg 109
377	// - Given input arrays xa[1..n] and ya[1..n], and a given value x
378	// return a value y and an error estimate dy. if P(x) is the polynomial of
379	// degree N-1 such that P(xai) = yai, then the returned value y=P(x)
380	//
381	// arrays XA[] and YA[] are passed in with an offset of the index
382	// of where to start the interpolation
383	Function POLINT(XA,YA,offset,N,X,Y,DY)
384	Wave XA,YA
385	Variable offset,N,X,&Y,&DY
386
387	Variable ii,mm,nmax,ns,dif,den,ho,hp,wi,dift
388
389	NMAX=10
390
391	Make/O/D/N=(NMAX) root:DSM:Ci,root:DSM:Di
392	wave Ci = root:DSM:Ci
393	wave Di = root:DSM:Di
394
395	NS=1
396	DIF=ABS(X-XA[0])
397	for(ii=0;ii<n;ii+=1)
398	DIFT=ABS(X-XA[ii+offset])
399	IF (DIFT < DIF)
400	NS=ii
401	DIF=DIFT
402	ENDIF
403	Ci[ii]=YA[ii+offset]
404	Di[ii]=YA[ii+offset]
405	endfor
406
407	Y=YA[NS+offset]
408	NS=NS-1
409	for(mm=1;mm<n-1;mm+=1)
410	for(ii=0;ii<(n-mm);ii+=1)
411	HO=XA[ii+offset]-X
412	HP=XA[ii+offset+mm]-X
413	Wi=Ci[ii+1]-Di[ii]
414	DEN=HO-HP
415	IF(DEN == 0.)
416	print "den == 0 in POLINT - ERROR!!!"
417	endif
418	DEN=Wi/DEN
419	Di[ii]=HP*DEN
420	Ci[ii]=HO*DEN
421	endfor //ii
422	IF (2*NS < (N-mm) )
423	DY=Ci[NS+1]
424	ELSE
425	DY=Di[NS]
426	NS=NS-1
427	ENDIF
428	Y=Y+DY
429	endfor //mm
430	RETURN (0) //y and dy are returned as pass-by-reference
431	END
432
433	//
434	// FUNC is always Integrand()
435	// again, see the c-version, NR pg 142
436	Function MIDPNT(A,B,N,qi,m)
437	Variable A,B,N,qi,m
438
439	Variable it,tnm,del,ddel,x,summ,jj
440
441	NVAR S_ret = root:DSM:gS
442
443	IF (N == 0)
444	S_ret=(B-A)Integrand_dsm(0.5(A+B),qi,m)
445	// Print "N==0, S_ret = ",s_ret
446	return(S_ret)
447	//IT=1
448	ELSE
449	//AJJ This code is confusing!
450	// it = 1
451	// for(jj=1;jj<n-1;jj+=1)
452	// it *= 3
453	// endfor
454	//AJJ Equivalent and simpler
455	it = 3^(N-1)
456	//
457	TNM=IT
458	DEL=(B-A)/(3.*TNM)
459	DDEL=DEL+DEL
460	X=A+0.5*DEL
461	SUMm=0.
462	for(jj=1;jj<=it;jj+=1)
463	SUMm=SUMm+Integrand_dsm(X,qi,m)
464	X=X+DDEL
465	SUMm=SUMm+Integrand_dsm(X,qi,m)
466	X=X+DEL
467	endfor
468	S_ret=(S_ret+(B-A)*SUMm/TNM)/3.
469	IT=3*IT
470	ENDIF
471	return S_ret
472	END
473
474	//////////// end of Lake desmearing routines
475
476	// - Almost everything below here is utility routines for data handling, panel
477	// controls, and all the fluff that makes this useable. Note that this is
478	// a lot more code than the actual guts of the Lake method!
479	// (the guts of the iteration are in the DemsearButtonProc)
480
481
482	// add three "fake" resolution columns to the output file so that it
483	// looks like a regular SANS data set, but make the sigQ column 100x smaller than Q
484	// so that there is effectively no resolution smearing. Set Qbar = Q, and fs = 1
485	//
486	// SRK 06 FEB 06
487	//
488	Function WriteUSANSDesmeared(fullpath,lo,hi,dialog)
489	String fullpath
490	Variable lo,hi,dialog //=1 will present dialog for name
491
492	String termStr="\r\n"
493	String destStr = "root:DSM:"
494	String formatStr = "%15.6g %15.6g %15.6g %15.6g %15.6g %15.6g"+termStr
495
496	Variable refNum,integer,realval
497
498	//***these waves MUST EXIST, or IGOR Pro will crash, with a type 2 error**
499	WAVE Q_dsm =$(destStr + "Q_dsm")
500	WAVE I_dsm=$(destStr + "I_dsm")
501	WAVE S_dsm=$(destStr + "S_dsm")
502
503	//check each wave
504	If(!(WaveExists(Q_dsm)))
505	Abort "Q_dsm DNExist in WriteUSANSDesmeared()"
506	Endif
507	If(!(WaveExists(I_dsm)))
508	Abort "I_dsm DNExist in WriteUSANSDesmeared()"
509	Endif
510	If(!(WaveExists(S_dsm)))
511	Abort "S_dsm DNExist in WriteUSANSDesmeared()"
512	Endif
513
514	// 06 FEB 06 SRK
515	// make dummy waves to hold the "fake" resolution, and write it as the last 3 columns
516	//
517	Duplicate/O Q_dsm,res1,res2,res3
518	res3 = 1 // "fake" beamstop shadowing
519	res1 /= 100 //make the sigmaQ so small that there is no smearing
520
521	if(dialog)
522	Open/D refnum as fullpath+".dsm" //won't actually open the file
523	If(cmpstr(S_filename,"")==0)
524	//user cancel, don't write out a file
525	Close/A
526	Abort "no data file was written"
527	Endif
528	fullpath = S_filename
529	Endif
530
531	//write out partial set?
532	Duplicate/O Q_dsm,tq,ti,te
533	ti=I_dsm
534	te=S_dsm
535	if( (lo!=hi) && (lo<hi))
536	redimension/N=(hi-lo+1) tq,ti,te,dumWave //lo to hi, inclusive
537	tq=Q_dsm[p+lo]
538	ti=I_dsm[p+lo]
539	te=S_dsm[p+lo]
540	endif
541
542	//tailor the output given the type of data written out...
543	String samStr="",dateStr="",str1,str2
544
545	NVAR m = root:DSM:gPowerM // power law exponent
546	NVAR chiFinal = root:DSM:gChi2Final //chi^2 final
547	NVAR iter = root:DSM:gIterations //total number of iterations
548
549	//get the number of spline passes from the wave note
550	String noteStr
551	Variable boxPass,SplinePass
552	noteStr=note(I_dsm)
553	BoxPass = NumberByKey("BOX", noteStr, "=", ";")
554	splinePass = NumberByKey("SPLINE", noteStr, "=", ";")
555
556	samStr = fullpath
557	dateStr="CREATED: "+date()+" at "+time()
558	sprintf str1,"Chi^2 = %g PowerLaw m = %4.2f Iterations = %d",chiFinal,m,iter
559	sprintf str2,"%d box smooth passes and %d smoothing spline passes",boxPass,splinePass
560
561	//actually open the file
562	Open refNum as fullpath
563
564	fprintf refnum,"%s"+termStr,samStr
565	fprintf refnum,"%s"+termStr,str1
566	fprintf refnum,"%s"+termStr,str2
567	fprintf refnum,"%s"+termStr,dateStr
568
569	wfprintf refnum, formatStr, tq,ti,te,res1,res2,res3
570
571	Close refnum
572
573	Killwaves/Z ti,tq,te,res1,res2,res3
574
575	Return(0)
576	End
577
578	/// procedures to do the extrapolation to high Q
579	// very similar to the procedures in the Invariant package
580	//
581	//create the wave to extrapolate
582	// w is the input q-values
583	Function DSM_SetExtrWaves(w)
584	Wave w
585
586	Variable num_extr=25
587
588	SetDataFolder root:DSM
589
590	Make/O/D/N=(num_extr) extr_hqq,extr_hqi
591	extr_hqi=1 //default values
592
593	//set the q-range
594	Variable qmax,num
595	// qmax=0.03
596
597	num=numpnts(w)
598	qmax=6*w[num-1]
599
600	extr_hqq = w[num-1] + x * (qmax-w[num-1])/num_extr
601
602	SetDataFolder root:
603	return(0)
604	End
605
606	//creates I_ext,Q_ext,S_ext with extended q-values
607	//
608	// if num_extr == 0 , the input waves are returned as _ext
609	//
610	// !! uses simple linear extrapolation at low Q - just need something
611	// reasonable in the waves to keep from getting smoothing artifacts
612	// - uses power law at high q
613	Function ExtendToSmooth(qw,iw,sw,nbeg,nend,num_extr)
614	Wave qw,iw,sw
615	Variable nbeg,nend,num_extr
616
617	Variable/G V_FitMaxIters=300
618	Variable/G V_fitOptions=4 //suppress the iteration window
619	Variable num_new,qmax,num,qmin
620	num=numpnts(qw)
621
622	num_new = num + 2*num_extr
623
624	// Print "num,num_new",num,num_new
625
626	SetDataFolder root:DSM
627	Make/O/D/N=(num_new) Q_ext,I_ext,S_ext
628
629	if(num_extr == 0) //the extended waves are the input, get out
630	Q_ext = qw
631	I_ext = iw
632	S_ext = sw
633	setDatafolder root:
634	return (0)
635	endif
636
637	//make the extensions
638	Make/O/D/N=(num_extr) hqq,hqi,lqq,lqi
639	hqi=1 //default values
640	lqi=0
641	//set the q-range based on the high/low values of the data set
642	// qmin=1e-6
643	qmin= qw[0]*0.5
644	qmax = qw[num-1]*2
645
646	hqq = qw[num-1] + x * (qmax-qw[num-1])/num_extr
647	lqq = qmin + x * (qw[0]-qmin)/num_extr
648
649	//do the fits
650	Duplicate/O iw dummy //use this as the destination to suppress fit_ from being appended
651
652	//Use simple linear fits line: y = K0+K1*x
653	CurveFit/Q line iw[0,(nbeg-1)] /X=qw /W=sw /D=dummy
654	Wave W_coef=W_coef
655	lqi=W_coef[0]+W_coef[1]*lqq
656	//
657	// Guinier or Power-law fits
658	//
659	// Make/O/D G_coef={100,-100} //input
660	// FuncFit DSM_Guinier_Fit G_coef iw[0,(nbeg-1)] /X=qw /W=sw /D
661	// lqi= DSM_Guinier_Fit(G_coef,lqq)
662
663	// Printf "I(q=0) = %g (1/cm)\r",G_coef[0]
664	// Printf "Rg = %g (A)\r",sqrt(-3*G_coef[1])
665
666	Make/O/D P_coef={0,1,-4} //input --- (set background to zero and hold fixed)
667	CurveFit/Q/N/H="100" Power kwCWave=P_coef iw[(num-1-nend),(num-1)] /X=qw /W=sw /D=dummy
668	hqi=P_coef[0]+P_coef[1]*hqq^P_coef[2]
669
670	// Printf "Power law exponent = %g\r",P_coef[2]
671	// Printf "Pre-exponential = %g\r",P_coef[1]
672
673	// concatenate the extensions
674	Q_ext[0,(num_extr-1)] = lqq[p]
675	Q_ext[num_extr,(num_extr+num-1)] = qw[p-num_extr]
676	Q_ext[(num_extr+num),(2*num_extr+num-1)] = hqq[p-num_extr-num]
677	I_ext[0,(num_extr-1)] = lqi[p]
678	I_ext[num_extr,(num_extr+num-1)] = iw[p-num_extr]
679	I_ext[(num_extr+num),(2*num_extr+num-1)] = hqi[p-num_extr-num]
680	S_ext[0,(num_extr-1)] = sw[0]
681	S_ext[num_extr,(num_extr+num-1)] = sw[p-num_extr]
682	S_ext[(num_extr+num),(2*num_extr+num-1)] = sw[num-1]
683
684	killwaves/z dummy
685	SetDataFolder root:
686	return(0)
687	End
688
689	// pass in the (smeared) experimental data and find the power-law extrapolation
690	// 10 points is usually good enough, unless the data is crummy
691	// returns the prediction for the exponent
692	//
693	Function DSM_DoExtrapolate(qw,iw,sw,nend)
694	Wave qw,iw,sw
695	Variable nend
696
697	Setdatafolder root:DSM
698
699	// Wave extr_lqi=extr_lqi
700	// Wave extr_lqq=extr_lqq
701	Wave extr_hqi=extr_hqi
702	Wave extr_hqq=extr_hqq
703	Variable/G V_FitMaxIters=300
704	Variable/G V_fitOptions=4 //suppress the iteration window
705	Variable num=numpnts(iw),retVal
706
707	Make/O/D P_coef={0,1,-4} //input
708	// Make/O/T Constr={"K2<0","K2 > -20"}
709	//(set background to zero and hold fixed)
710	CurveFit/H="100" Power kwCWave=P_coef iw[(num-1-nend),(num-1)] /X=qw /W=sw /D
711	extr_hqi=P_coef[0]+P_coef[1]*extr_hqq^P_coef[2]
712
713	// for the case of data with a background
714	// Make/O/D P_coef={0,1,-4} //input
715	// //(set background to iw[num-1], let it be a free parameter
716	// P_coef[0] = iw[num-1]
717	// CurveFit Power kwCWave=P_coef iw[(num-1-nend),(num-1)] /X=qw /W=sw /D
718	// extr_hqi=P_coef[0]+P_coef[1]*extr_hqq^P_coef[2]
719
720
721	Printf "Smeared Power law exponent = %g\r",P_coef[2]
722	Printf "**** For Desmearing, use a Power law exponent of %5.1f\r",P_coef[2]-1
723
724	retVal = P_coef[2]-1
725	SetDataFolder root:
726	return(retVal)
727	End
728
729	Function DSM_Guinier_Fit(w,x) //: FitFunc
730	Wave w
731	Variable x
732
733	//fit data to I(q) = Aexp(Bq^2)
734	// (B will be negative)
735	//two parameters
736	Variable a,b,ans
737	a=w[0]
738	b=w[1]
739	ans = aexp(bx*x)
740	return(ans)
741	End
742
743	Proc Desmear_Graph()
744	PauseUpdate; Silent 1 // building window...
745	Display /W=(5,44,408,558) /K=1
746	ModifyGraph cbRGB=(51664,44236,58982)
747	DoWindow/C Desmear_Graph
748	ControlBar 160
749	// break into tabs
750	TabControl DSM_Tab,pos={5,3},size={392,128},proc=DSM_TabProc
751	TabControl DSM_Tab,labelBack=(49151,49152,65535),tabLabel(0)="Load"
752	TabControl DSM_Tab,tabLabel(1)="Mask",tabLabel(2)="Extrapolate"
753	TabControl DSM_Tab,tabLabel(3)="Smooth",tabLabel(4)="Desmear",value= 0
754
755	//always visible - revert and save
756	//maybe the wrong place here?
757	Button DSMControlA,pos={225,135},size={80,20},proc=DSM_RevertButtonProc,title="Revert"
758	Button DSMControlA,help={"Revert the smeared data to its original state and start over"}
759	Button DSMControlB,pos={325,135},size={50,20},proc=DSM_SaveButtonProc,title="Save"
760	Button DSMControlB,help={"Save the desmeared data set"}
761	Button DSMControlC,pos={25,135},size={50,20},proc=DSM_HelpButtonProc,title="Help"
762	Button DSMControlC,help={"Show the help file for desmearing"}
763
764	// add the controls to each tab ---- all names start with "DSMControl_"
765
766	//tab(0) Load - initially visible
767	Button DSMControl_0a,pos={23,39},size={80,20},proc=DSM_LoadButtonProc,title="Load Data"
768	Button DSMControl_0a,help={"Load slit-smeared USANS data = \".cor\" files"}
769	CheckBox DSMControl_0b,pos={26,74},size={80,14},proc=DSM_LoadCheckProc,title="Log Axes?"
770	CheckBox DSMControl_0b,help={"Toggle Log/Lin Q display"},value= 1
771	TitleBox DSMControl_0c,pos={120,37},size={104,19},font="Courier",fSize=10
772	TitleBox DSMControl_0c,variable= root:DSM:gStr1
773	//second message string not used currently
774	// TitleBox DSMControl_0d,pos={120,57},size={104,19},font="Courier",fSize=10
775	// TitleBox DSMControl_0d,variable= root:DSM:gStr2
776
777	//tab(1) Mask
778	Button DSMControl_1a,pos={20,35},size={90,20},proc=DSM_MyMaskProc,title="Mask Point" //bMask
779	Button DSMControl_1a,help={"Toggles the masking of the selected data point"}
780	Button DSMControl_1a,disable=1
781	Button DSMControl_1b,pos={20,65},size={140,20},proc=DSM_MaskGTCursor,title="Mask Q >= Cursor" //bMask
782	Button DSMControl_1b,help={"Toggles the masking of all q-values GREATER than the current cursor location"}
783	Button DSMControl_1b,disable=1
784	Button DSMControl_1c,pos={20,95},size={140,20},proc=DSM_MaskLTCursor,title="Mask Q <= Cursor" //bMask
785	Button DSMControl_1c,help={"Toggles the masking of all q-values LESS than the current cursor location"}
786	Button DSMControl_1c,disable=1
787	Button DSMControl_1d,pos={180,35},size={90,20},proc=DSM_ClearMaskProc,title="Clear Mask" //bMask
788	Button DSMControl_1d,help={"Clears all mask points"}
789	Button DSMControl_1d,disable=1
790	// Button DSMControl_1b,pos={144,66},size={110,20},proc=DSM_MaskDoneButton,title="Done Masking"
791	// Button DSMControl_1b,disable=1
792
793	//tab(2) Extrapolate
794	Button DSMControl_2a,pos={31,42},size={90,20},proc=DSM_ExtrapolateButtonProc,title="Extrapolate"
795	Button DSMControl_2a,help={"Extrapolate the high-q region with a power-law"}
796	Button DSMControl_2a,disable=1
797	SetVariable DSMControl_2b,pos={31,70},size={100,15},title="# of points"
798	SetVariable DSMControl_2b,help={"Set the number of points for the power-law extrapolation"}
799	SetVariable DSMControl_2b,limits={5,100,1},value= root:DSM:gNptsExtrap
800	SetVariable DSMControl_2b,disable=1
801	CheckBox DSMControl_2c,pos={157,45},size={105,14},proc=DSM_ExtrapolationCheckProc,title="Show Extrapolation"
802	CheckBox DSMControl_2c,help={"Show or hide the high q extrapolation"},value= 1
803	CheckBox DSMControl_2c,disable=1
804	SetVariable DSMControl_2d,pos={31,96},size={150,15},title="Power Law Exponent"
805	SetVariable DSMControl_2d,help={"Power Law exponent from the fit = the DESMEARED slope - override as needed"}
806	SetVariable DSMControl_2d format="%5.2f"
807	SetVariable DSMControl_2d,limits={-inf,inf,0},value= root:DSM:gPowerM
808	SetVariable DSMControl_2d,disable=1
809
810	//tab(3) Smooth
811	Button DSMControl_3a,pos={34,97},size={70,20},proc=DSM_SmoothButtonProc,title="Smooth"
812	Button DSMControl_3a,disable=1
813	//BoxCheck
814	CheckBox DSMControl_3b,pos={34,39},size={35,14},title="Box",value= 1
815	CheckBox DSMControl_3b,help={"Use a single pass of 3-point box smoothing"}
816	CheckBox DSMControl_3b,disable=1
817	//SSCheck
818	CheckBox DSMControl_3c,pos={34,60},size={45,14},title="Spline",value= 0
819	CheckBox DSMControl_3c,help={"Use a single pass of a smoothing spline"}
820	CheckBox DSMControl_3c,disable=1
821	//extendCheck
822	CheckBox DSMControl_3d,pos={268,60},size={71,14},title="Extend Data"
823	CheckBox DSMControl_3d,help={"extends the data at both low q and high q to avoid end effects in smoothing"}
824	CheckBox DSMControl_3d,value= 0
825	CheckBox DSMControl_3d,disable=1
826	Button DSMControl_3e,pos={125,97},size={90,20},proc=DSM_SmoothUndoButtonProc,title="Start Over"
827	Button DSMControl_3e,help={"Start the smoothing over again without needing to re-mask the data set"}
828	Button DSMControl_3e,disable=1
829	SetVariable DSMControl_3f,pos={94,60},size={150,15},title="Smoothing factor"
830	SetVariable DSMControl_3f,help={"Smoothing factor for the smoothing spline"}
831	SetVariable DSMControl_3f format="%5.4f"
832	SetVariable DSMControl_3f,limits={0.01,2,0.01},value= root:DSM:gSmoothFac
833	SetVariable DSMControl_3f,disable=1
834	CheckBox DSMControl_3g,pos={268,39},size={90,14},title="Log-scale smoothing?"
835	CheckBox DSMControl_3g,help={"Use log-scaled intensity during smoothing (reverts to linear if negative intensity points found)"}
836	CheckBox DSMControl_3g,value=0
837	CheckBox DSMControl_3g,disable=1
838	ValDisplay DSMControl_3h pos={235,97},title="Chi^2",size={80,20},value=root:DSM:gChi2Smooth
839	ValDisplay DSMControl_3h,help={"This is the Chi^2 value for the smoothed data vs experimental data"}
840	ValDisplay DSMControl_3h,disable=1
841
842	//tab(4) Desmear
843	Button DSMControl_4a,pos={35,93},size={80,20},proc=DSM_DesmearButtonProc,title="Desmear"
844	Button DSMControl_4a,help={"Do the desmearing - the result is in I_dsm"}
845	Button DSMControl_4a,disable=1
846	SetVariable DSMControl_4b,pos={35,63},size={120,15},title="Chi^2 target"
847	SetVariable DSMControl_4b,help={"Set the targetchi^2 for convergence (recommend chi^2=1)"}
848	SetVariable DSMControl_4b,limits={0,inf,0.1},value= root:DSM:gChi2Target
849	SetVariable DSMControl_4b,disable=1
850	SetVariable DSMControl_4c,pos={35,35},size={80,15},title="dQv"
851	SetVariable DSMControl_4c,help={"Slit height as read in from the data file. 0.117 is the NIST value, override if necessary"}
852	SetVariable DSMControl_4c,limits={-inf,inf,0},value= root:DSM:gDqv
853	SetVariable DSMControl_4c,disable=1
854	TitleBox DSMControl_4d,pos={160,37},size={104,19},font="Courier",fSize=10
855	TitleBox DSMControl_4d,variable= root:DSM:gIterStr
856	TitleBox DSMControl_4d,disable=1
857
858
859	SetDataFolder root:
860	EndMacro
861
862	// function to control the drawing of buttons in the TabControl on the main panel
863	// Naming scheme for the buttons MUST be strictly adhered to... else buttons will
864	// appear in odd places...
865	// all buttons are named DSMControl_NA where N is the tab number and A is the letter denoting
866	// the button's position on that particular tab.
867	// in this way, buttons will always be drawn correctly :-)
868	//
869	Function DSM_TabProc(ctrlName,tab) //: TabControl
870	String ctrlName
871	Variable tab
872
873	String ctrlList = ControlNameList("",";"),item="",nameStr=""
874	Variable num = ItemsinList(ctrlList,";"),ii,onTab
875	for(ii=0;ii<num;ii+=1)
876	//items all start w/"DSMControl_" //11 characters
877	item=StringFromList(ii, ctrlList ,";")
878	nameStr=item[0,10]
879	if(cmpstr(nameStr,"DSMControl_")==0)
880	onTab = str2num(item[11]) //12th is a number
881	ControlInfo $item
882	switch(abs(V_flag))
883	case 1:
884	Button $item,disable=(tab!=onTab)
885	break
886	case 2:
887	CheckBox $item,disable=(tab!=onTab)
888	break
889	case 5:
890	SetVariable $item,disable=(tab!=onTab)
891	break
892	case 10:
893	TitleBox $item,disable=(tab!=onTab)
894	break
895	case 4:
896	ValDisplay $item,disable=(tab!=onTab)
897	break
898	// add more items to the switch if different control types are used
899	endswitch
900
901	endif
902	endfor
903
904	if(tab==1)
905	DSM_MyMaskProc("") //start maksing if you click on the tab
906	else
907	DSM_MaskDoneButton("") //masking is done if you click off the tab
908	endif
909
910	return 0
911	End
912
913	Proc AppendSmeared()
914	SetDataFolder root:DSM
915	// if( strsearch(TraceNameList("Desmear_Graph", "", 1),"I_exp_orig",0,2) == -1) //Igor 5
916	if( strsearch(TraceNameList("Desmear_Graph", "", 1),"I_exp_orig",0) == -1)
917	AppendToGraph/W=Desmear_Graph I_exp_orig vs Q_exp_orig
918	ModifyGraph mode=4,marker=19 //3 is markers, 4 is markers and lines
919	ModifyGraph rgb(I_exp_orig)=(0,0,0)
920	ModifyGraph msize=2,grid=1,log=1,mirror=2,standoff=0,tickunit=1
921	ErrorBars I_exp_orig Y,wave=(S_exp_orig,S_exp_orig)
922	Legend/N=text0/J "\\F'Courier'\\s(I_exp_orig) I_exp_orig"
923	Label left "Intensity"
924	Label bottom "Q (1/A)"
925	endif
926	//always update the textbox - kill the old one first
927	TextBox/K/N=text1
928	// TextBox/C/N=text1/F=0/A=MT/E=2/X=5.50/Y=0.00 root:DSM:gCurFile //Igor 5
929	TextBox/C/N=text1/F=0/A=MT/E=1/X=5.50/Y=0.00 root:DSM:gCurFile
930	End
931
932	Proc AppendMask()
933	// if( strsearch(TraceNameList("Desmear_Graph", "", 1),"MaskData",0,2) == -1) //Igor 5
934	if( strsearch(TraceNameList("Desmear_Graph", "", 1),"MaskData",0) == -1)
935	SetDataFolder root:DSM:
936	AppendToGraph/W=Desmear_Graph MaskData vs Q_exp_orig
937	ModifyGraph mode(MaskData)=3,marker(MaskData)=8,msize(MaskData)=2.5,opaque(MaskData)=1
938	ModifyGraph rgb(MaskData)=(65535,16385,16385)
939	setdatafolder root:
940	endif
941	end
942
943	Proc AppendSmoothed()
944	// if( strsearch(TraceNameList("Desmear_Graph", "", 1),"I_smth",0,2) == -1) //Igor 5
945	if( strsearch(TraceNameList("Desmear_Graph", "", 1),"I_smth",0) == -1)
946	SetDataFolder root:DSM:
947	AppendToGraph/W=Desmear_Graph I_smth vs Q_smth
948	ModifyGraph/W=Desmear_Graph rgb(I_smth)=(3,52428,1),lsize(I_smth)=2
949	setdatafolder root:
950	endif
951	end
952
953	Function RemoveSmoothed()
954	SetDataFolder root:DSM:
955	RemoveFromGraph/W=Desmear_Graph/Z I_smth
956	setdatafolder root:
957	end
958
959	Function RemoveMask()
960	SetDataFolder root:DSM:
961	RemoveFromGraph/W=Desmear_Graph/Z MaskData
962	setdatafolder root:
963	end
964
965	Proc AppendDesmeared()
966	// if( strsearch(TraceNameList("Desmear_Graph", "", 1),"I_dsm",0,2) == -1) //Igor 5
967	if( strsearch(TraceNameList("Desmear_Graph", "", 1),"I_dsm",0) == -1)
968	SetDataFolder root:DSM:
969	AppendToGraph/W=Desmear_Graph I_dsm vs Q_dsm
970	ModifyGraph mode(I_dsm)=3,marker(I_dsm)=19
971	ModifyGraph rgb(I_dsm)=(1,16019,65535),msize(I_dsm)=2
972	ErrorBars I_dsm Y,wave=(S_dsm,S_dsm)
973	setdatafolder root:
974	endif
975	end
976
977	Function RemoveDesmeared()
978	SetDataFolder root:DSM:
979	RemoveFromGraph/W=Desmear_Graph/Z I_dsm
980	setdatafolder root:
981	end
982
983	Function AppendExtrapolation()
984	// if( strsearch(TraceNameList("Desmear_Graph", "", 1),"extr_hqi",0,2) == -1) //Igor 5
985	if( strsearch(TraceNameList("Desmear_Graph", "", 1),"extr_hqi",0) == -1)
986	SetDataFolder root:DSM:
987	AppendToGraph/W=Desmear_Graph extr_hqi vs extr_hqq
988	ModifyGraph/W=Desmear_Graph lSize(extr_hqi)=2
989	setdatafolder root:
990	endif
991	end
992
993	Function RemoveExtrapolation()
994	SetDataFolder root:DSM:
995	RemoveFromGraph/W=Desmear_Graph/Z extr_hqi
996	setdatafolder root:
997	end
998
999	// step (1) - read in the data, and plot it
1000	// clear out all of the "old" waves, remove them from the graph first
1001	// reads in a fresh copy of the data
1002	//
1003	// produces Q_exp, I_exp, S_exp waves (and originals "_orig")
1004	// add a dummy wave note that can be changed on later steps
1005	//
1006	Function DSM_LoadButtonProc(ctrlName) : ButtonControl
1007	String ctrlName
1008
1009	String qStr,iStr,sStr,sqStr
1010	Variable nq,dqv,numBad,val
1011
1012	// remove any of the old traces on the graph and delete the waves
1013	CleanUpJunk()
1014
1015	SetDataFolder root:
1016	Execute "U_LoadOneDDataWithName(\"\")"
1017	//define the waves that the smoothing will be looking for...
1018	SVAR fname = root:myGlobals:gLastFileName //this changes as any data is loaded
1019	SVAR curFile = root:DSM:gCurFile //keep this for title, save
1020	curFile = fname
1021
1022	qStr = CleanupName((fName + "_q"),0) //the q-wave
1023	iStr = CleanupName((fName + "_i"),0) //the i-wave
1024	sStr = CleanupName((fName + "_s"),0) //the s-wave
1025	sqStr = CleanupName((fName + "sq"),0) //the sq-wave, which should have -dQv as the elements
1026
1027	Duplicate/O $qStr root:DSM:Q_exp //root:DSM:Q_exp_orig
1028	Duplicate/O $iStr root:DSM:I_exp //root:DSM:I_exp_orig
1029	Duplicate/O $sStr root:DSM:S_exp //root:DSM:S_exp_orig
1030	wave Q_exp = root:DSM:Q_exp
1031	Wave I_exp = root:DSM:I_exp
1032	Wave S_exp = root:DSM:S_exp
1033	Wave/Z sigQ = $sqStr
1034
1035	// remove any negative q-values (and q=0 values!)(and report this)
1036	// ? and trim the low q to be >= 3.0e-5 (1/A), below this USANS is not reliable.
1037	NumBad = RemoveBadQPoints(Q_exp,I_exp,S_exp,0)
1038	SVAR str1 = root:DSM:gStr1
1039	sprintf str1,"%d negative q-values were removed",numBad
1040
1041	// don't trim off any positive q-values
1042	// val = 3e-5 //lowest "good" q-value from USANS
1043	// NumBad = RemoveBadQPoints(Q_exp,I_exp,S_exp,val-1e-8)
1044	// SVAR str2 = root:DSM:gStr2
1045	// sprintf str2,"%d q-values below q = %g were removed",numBad,val
1046
1047	Duplicate/O root:DSM:Q_exp root:DSM:Q_exp_orig
1048	Duplicate/O root:DSM:I_exp root:DSM:I_exp_orig
1049	Duplicate/O root:DSM:S_exp root:DSM:S_exp_orig
1050	wave I_exp_orig = root:DSM:I_exp_orig
1051
1052	nq = numpnts(root:DSM:Q_exp)
1053
1054	if(WaveExists(sigQ)) //try to read dQv
1055	dqv = -sigQ[0]
1056	// DoAlert 0,"Found dQv value of " + num2str(dqv)
1057	else
1058	dqv = 0.117
1059	// dqv = 0.037 //old value
1060	DoAlert 0,"Could not find dQv in the data file - using " + num2str(dqv)
1061	endif
1062	NVAR gDqv = root:DSM:gDqv //needs to be global for Weights_L()
1063	NVAR gNq = root:DSM:gNq
1064	//reset the globals
1065	gDqv = dqv
1066	gNq = nq
1067
1068	// append the (blank) wave note to the intensity wave
1069	Note I_exp,"BOX=0;SPLINE=0;"
1070	Note I_exp_orig,"BOX=0;SPLINE=0;"
1071
1072	//draw the graph
1073	Execute "AppendSmeared()"
1074
1075	SetDataFolder root:
1076	End
1077
1078	// remove any q-values <= val
1079	Function RemoveBadQPoints(qw,iw,sw,val)
1080	Wave qw,iw,sw
1081	Variable val
1082
1083	Variable ii,num,numBad,qval
1084	num = numpnts(qw)
1085
1086	ii=0
1087	numBad=0
1088	do
1089	qval = qw[ii]
1090	if(qval <= val)
1091	numBad += 1
1092	else //keep the points
1093	qw[ii-numBad] = qval
1094	iw[ii-numBad] = iw[ii]
1095	sw[ii-numBad] = sw[ii]
1096	endif
1097	ii += 1
1098	while(ii<num)
1099	//trim the end of the waves
1100	DeletePoints num-numBad, numBad, qw,iw,sw
1101	return(numBad)
1102	end
1103
1104	// if mw = Nan, keep the point, if a numerical value, delete it
1105	Function RemoveMaskedPoints(mw,qw,iw,sw)
1106	Wave mw,qw,iw,sw
1107
1108	Variable ii,num,numBad,mask
1109	num = numpnts(qw)
1110
1111	ii=0
1112	numBad=0
1113	do
1114	mask = mw[ii]
1115	if(numtype(mask) != 2) //if not NaN
1116	numBad += 1
1117	else //keep the points that are NaN
1118	qw[ii-numBad] = qw[ii]
1119	iw[ii-numBad] = iw[ii]
1120	sw[ii-numBad] = sw[ii]
1121	endif
1122	ii += 1
1123	while(ii<num)
1124	//trim the end of the waves
1125	DeletePoints num-numBad, numBad, qw,iw,sw
1126	return(numBad)
1127	end
1128
1129	// produces the _msk waves that have the new number of data points
1130	//
1131	Function DSM_MaskDoneButton(ctrlName) : ButtonControl
1132	String ctrlName
1133
1134	// Variable aExists= strlen(CsrInfo(A)) > 0 //Igor 5
1135	Variable aExists= strlen(CsrWave(A)) > 0 //Igor 4
1136	if(!aExists)
1137	return(1) //possibly reverted data, no cursor, no Mask wave
1138	endif
1139
1140	Duplicate/O root:DSM:Q_exp_orig,root:DSM:Q_msk
1141	Duplicate/O root:DSM:I_exp_orig,root:DSM:I_msk
1142	Duplicate/O root:DSM:S_exp_orig,root:DSM:S_msk
1143	Wave Q_msk=root:DSM:Q_msk
1144	Wave I_msk=root:DSM:I_msk
1145	Wave S_msk=root:DSM:S_msk
1146
1147	//finish up - trim the data sets and reassign the working set
1148	Wave MaskData=root:DSM:MaskData
1149
1150	RemoveMaskedPoints(MaskData,Q_msk,I_msk,S_msk)
1151
1152	//reset the number of points
1153	NVAR gNq = root:DSM:gNq
1154	gNq = numpnts(Q_msk)
1155
1156	Cursor/K A
1157	HideInfo
1158
1159	return(0)
1160	End
1161
1162
1163	// not quite the same as revert
1164	Function DSM_ClearMaskProc(ctrlName) : ButtonControl
1165	String ctrlName
1166
1167	Wave MaskData=root:DSM:MaskData
1168	MaskData = NaN
1169
1170	return(0)
1171	end
1172
1173	// when the mask button is pressed, A must be on the graph
1174	// Displays MaskData wave on the graph
1175	//
1176	Function DSM_MyMaskProc(ctrlName) : ButtonControl
1177	String ctrlName
1178
1179	Wave data=root:DSM:I_exp_orig
1180
1181	// Variable aExists= strlen(CsrInfo(A)) > 0 //Igor 5
1182	Variable aExists= strlen(CsrWave(A)) > 0 //Igor 4
1183
1184	// need to get rid of old smoothed data if data is re-masked
1185	Execute "RemoveSmoothed()"
1186	SetDataFolder root:DSM
1187	Killwaves/Z I_smth,Q_smth,S_smth
1188	SetDataFolder root:
1189
1190	if(aExists) //mask the selected point
1191	// toggle NaN (keep) or Data value (= masked)
1192	Wave MaskData=root:DSM:MaskData
1193	MaskData[pcsr(A)] = (numType(MaskData[pcsr(A)])==0) ? NaN : data[pcsr(A)] //if NaN, doesn't plot
1194	else
1195	Cursor /A=1/H=1/L=1/P/W=Desmear_Graph A I_exp_orig leftx(I_exp_orig)
1196	ShowInfo
1197	//if the mask wave does not exist, make one
1198	if(exists("root:DSM:MaskData") != 1)
1199	Duplicate/O root:DSM:Q_exp_orig root:DSM:MaskData
1200	Wave MaskData=root:DSM:MaskData
1201	MaskData = NaN //use all data
1202	endif
1203	Execute "AppendMask()"
1204	endif
1205
1206	return(0)
1207	End
1208
1209	// when the mask button is pressed, A must be on the graph
1210	// Displays MaskData wave on the graph
1211	//
1212	Function DSM_MaskLTCursor(ctrlName) : ButtonControl
1213	String ctrlName
1214
1215	Wave data=root:DSM:I_exp_orig
1216
1217	// Variable aExists= strlen(CsrInfo(A)) > 0 //Igor 5
1218	Variable aExists= strlen(CsrWave(A)) > 0 //Igor 4
1219
1220	if(!aExists)
1221	return(1)
1222	endif
1223	// need to get rid of old smoothed data if data is re-masked
1224	Execute "RemoveSmoothed()"
1225	SetDataFolder root:DSM
1226	Killwaves/Z I_smth,Q_smth,S_smth
1227	SetDataFolder root:
1228
1229	Wave MaskData=root:DSM:MaskData
1230	Variable pt,ii
1231	pt = pcsr(A)
1232	for(ii=pt;ii>=0;ii-=1)
1233	// toggle NaN (keep) or Data value (= masked)
1234	MaskData[ii] = (numType(MaskData[ii])==0) ? NaN : data[ii] //if NaN, doesn't plot
1235	endfor
1236	return(0)
1237	End
1238
1239	// when the mask button is pressed, A must be on the graph
1240	// Displays MaskData wave on the graph
1241	//
1242	Function DSM_MaskGTCursor(ctrlName) : ButtonControl
1243	String ctrlName
1244
1245	Wave data=root:DSM:I_exp_orig
1246
1247	// Variable aExists= strlen(CsrInfo(A)) > 0 //Igor 5
1248	Variable aExists= strlen(CsrWave(A)) > 0 //Igor 4
1249
1250	if(!aExists)
1251	return(1)
1252	endif
1253	// need to get rid of old smoothed data if data is re-masked
1254	Execute "RemoveSmoothed()"
1255	SetDataFolder root:DSM
1256	Killwaves/Z I_smth,Q_smth,S_smth
1257	SetDataFolder root:
1258
1259	Wave MaskData=root:DSM:MaskData
1260	Variable pt,ii,endPt
1261	endPt=numpnts(MaskData)
1262	pt = pcsr(A)
1263	for(ii=pt;ii<endPt;ii+=1)
1264	// toggle NaN (keep) or Data value (= masked)
1265	MaskData[ii] = (numType(MaskData[ii])==0) ? NaN : data[ii] //if NaN, doesn't plot
1266	endfor
1267	return(0)
1268	End
1269
1270	Function CleanUpJunk()
1271	// clean up the old junk on the graph, /Z for no error
1272	Execute "RemoveExtrapolation()"
1273	Execute "RemoveDesmeared()"
1274	Execute "RemoveSmoothed()"
1275	Execute "RemoveMask()"
1276
1277	//remove the cursor
1278	Cursor/K A
1279
1280	//always initialize these
1281	String/G root:DSM:gStr1 = ""
1282	String/G root:DSM:gStr2 = ""
1283	String/G root:DSM:gIterStr = ""
1284
1285	// clean up the old waves from smoothing and desmearing steps
1286	SetDataFolder root:DSM
1287	Killwaves/Z I_smth,I_dsm,I_dsm_sm,Q_smth,Q_dsm,S_smth,S_dsm,Yi_SS,Yq_SS
1288	Killwaves/Z Weights,FW,R_wave,S_wave,H_wave,Di,Ci
1289	Killwaves/Z Is_old,I_old,err
1290	Killwaves/Z Q_ext,I_ext,S_ext,hqq,hqi,lqq,lqi
1291	Killwaves/Z MaskData,Q_msk,I_msk,S_msk
1292	Killwaves/Z Q_work,I_work,S_work //working waves for desmearing step
1293	SetDataFolder root:
1294	End
1295
1296	// does not alter the data sets - reports a power law
1297	// exponent and makes it global so it will automatically
1298	// be used during the desmearing
1299	//
1300	// generates extr_hqi vs extr_hqq that are Appended to the graph
1301	Function DSM_ExtrapolateButtonProc(ctrlName) : ButtonControl
1302	String ctrlName
1303
1304	NVAR nend = root:DSM:gNptsExtrap
1305	NVAR m_pred = root:DSM:gPowerM
1306
1307	SetDataFolder root:DSM
1308	//use masked data if it exists
1309	if(exists("I_msk")==1 && exists("Q_msk")==1 && exists("S_msk")==1)
1310	wave Qw = root:DSM:Q_msk
1311	Wave Iw = root:DSM:I_msk
1312	Wave Sw = root:DSM:S_msk
1313	else
1314	//start from the "_exp" waves
1315	if(exists("I_exp")==1 && exists("Q_exp")==1 && exists("S_exp")==1)
1316	wave Qw = root:DSM:Q_exp
1317	Wave Iw = root:DSM:I_exp
1318	Wave Sw = root:DSM:S_exp
1319	endif
1320	endif
1321	SetDataFolder root:
1322
1323	DSM_SetExtrWaves(Qw)
1324	m_pred = DSM_DoExtrapolate(Qw,Iw,Sw,nend)
1325	AppendExtrapolation()
1326
1327	return(0)
1328	End
1329
1330	//smooths the data in steps as requested...
1331	//
1332	// typically do a simple Box smooth first,
1333	// then do a smoothing spline, keeping the same number of data points
1334	//
1335	// chi-squared is reported - so you can see how "bad" the smoothing is
1336	// smoothing of the data is done on a log(I) scale if requested
1337	// setting doLog variable to 0 will return to linear smoothing
1338	// (I see little difference)
1339	//
1340	// start from the "_smth" waves if they exist
1341	// otheriwse start from the working waves
1342	//
1343	// create Q_smth, I_smth, S_smth
1344	// keep track of the smoothing types and passes in the wave note
1345	//
1346	Function DSM_SmoothButtonProc(ctrlName) : ButtonControl
1347	String ctrlName
1348
1349	SetDataFolder root:DSM
1350
1351	Variable ii,new_n,pass,nq_ext,offset,doLog=1
1352	String noteStr=""
1353
1354	// want log scaling of intensity during smoothing?
1355	ControlInfo DSMControl_3g
1356	doLog = V_value
1357
1358	//// if(exists("I_smth")==1 && exists("Q_smth")==1 && exists("S_smth")==1 && ! freshMask)
1359	if(exists("I_smth")==1 && exists("Q_smth")==1 && exists("S_smth")==1)
1360	//start from the smoothed waves --- just need the wave references
1361	else
1362	//start from the "msk", creating smth waves
1363	if(exists("I_msk")==1 && exists("Q_msk")==1 && exists("S_msk")==1)
1364	wave Q_msk = root:DSM:Q_msk
1365	Wave I_msk = root:DSM:I_msk
1366	Wave S_msk = root:DSM:S_msk
1367	Duplicate/O I_msk,I_smth,Q_smth,S_smth
1368	I_smth = I_msk
1369	Q_smth = Q_msk
1370	S_smth = S_msk
1371	else
1372	//start from the "_exp" waves
1373	if(exists("I_exp")==1 && exists("Q_exp")==1 && exists("S_exp")==1)
1374	wave Q_exp = root:DSM:Q_exp
1375	Wave I_exp = root:DSM:I_exp
1376	Wave S_exp = root:DSM:S_exp
1377	Duplicate/O I_exp,I_smth,Q_smth,S_smth
1378	I_smth = I_exp
1379	Q_smth = Q_exp
1380	S_smth = S_exp
1381	endif
1382	endif
1383	endif
1384
1385	wave Q_smth = root:DSM:Q_smth
1386	Wave I_smth = root:DSM:I_smth
1387	Wave S_smth = root:DSM:S_smth
1388
1389	// extend the data to avoid end effects
1390	//creates I_ext,Q_ext,S_ext with extended q-values
1391	// fit 15 pts at each end, typically add 10 pts to each end
1392	// does nothing if num_extr = 0
1393	ControlInfo/W=Desmear_Graph DSMControl_3d //extendCheck
1394	if(V_value == 1)
1395	ExtendToSmooth(Q_smth,I_smth,S_smth,15,15,10)
1396	else
1397	ExtendToSmooth(Q_smth,I_smth,S_smth,15,15,0) //don't extend, just use the original data
1398	endif
1399
1400	//whether extending or not, the working data is "_ext", set by ExtendToSmooth()
1401	setDataFolder root:DSM
1402	wave Q_ext = root:DSM:Q_ext
1403	Wave I_ext = root:DSM:I_ext
1404	Wave S_ext = root:DSM:S_ext
1405
1406	noteStr=note(I_smth)
1407	Note I_ext , noteStr
1408
1409	WaveStats/Q I_ext
1410	if(V_min<=0)
1411	Print "negative itensity found, using linear scale for smoothing"
1412	doLog = 0
1413	endif
1414
1415	if(doLog)
1416	//convert to log scale
1417	Duplicate/O I_ext root:DSM:I_log,root:DSM:I_log_err
1418	Wave I_log = root:DSM:I_log
1419	Wave I_log_err = root:DSM:I_log_err
1420	I_log = log(I_ext)
1421	WaveStats/Q I_log
1422	offset = 2*(-V_min)
1423	I_log += offset
1424	I_log_err = S_ext/(2.30*I_ext)
1425	I_ext = I_log
1426	endif
1427	//
1428
1429	ControlInfo/W=Desmear_Graph DSMControl_3b //BoxCheck
1430	if(V_value == 1)
1431	//do a simple Box smooth first - number of points does not change
1432	// fills ends with neighboring value (E=3) (n=3 points in smoothing window)
1433	Smooth/E=3/B 3, I_ext
1434
1435	noteStr=note(I_ext)
1436	pass = NumberByKey("BOX", noteStr, "=", ";")
1437	noteStr = ReplaceNumberByKey("BOX", noteStr, pass+1, "=", ";")
1438	Note/K I_ext
1439	Note I_ext , noteStr
1440	// Print "box = ",noteStr
1441	endif
1442
1443	NVAR sParam = root:DSM:gSmoothFac
1444
1445	ControlInfo/W=Desmear_Graph DSMControl_3c //SSCheck
1446	if(V_value == 1)
1447	// Interpolate2/T=3/N=(nq)/I=2/F=1/SWAV=S_ext/Y=Yi_SS/X=Yq_SS Q_ext, I_ext //Igor 5
1448	// Interpolate/T=3/N=(nq)/I=2/F=1/S=S_ext/Y=Yi_SS/X=Yq_SS I_ext /X=Q_ext //Igor 4
1449	//Igor 4
1450	String str=""
1451	nq_ext = numpnts(Q_ext)
1452	str = "Interpolate/T=3/N=("+num2str(nq_ext)+")/I=1/F=("+num2str(sParam)+")/Y=Yi_SS/X=Yq_SS I_ext /X=Q_ext"
1453	Execute str
1454	// Print Str
1455	// Interpolate2/T=3/N=(nq_ext)/I=1/F=(sParam)/Y=Yi_SS/X=Yq_SS Q_ext, I_ext
1456	// end Igor 4
1457	wave yi_ss = root:DSM:yi_ss
1458	wave yq_ss = root:DSM:yq_ss
1459	// reassign the "working" waves with the result of interpolate, which has the same I/Q values
1460	I_ext = yi_ss
1461	Q_ext = yq_ss
1462
1463	noteStr=note(I_ext)
1464	pass = NumberByKey("SPLINE", noteStr, "=", ";")
1465	noteStr = ReplaceNumberByKey("SPLINE", noteStr, pass+1, "=", ";")
1466	Note/K I_ext
1467	Note I_ext , noteStr
1468	// Print "spline = ",noteStr
1469	endif
1470
1471	//undo the scaling
1472	If(doLog)
1473	I_ext -= offset
1474	I_ext = 10^I_ext
1475	endif
1476
1477	// at this point, I_ext has too many points - and we need to just return the
1478	// center chunk that is the original q-values
1479	// as assign this to the working set for the desmear step
1480	// and to the _smth set in case another smoothng pass is desired
1481	// Q_smth has not changed, S_smth has not changed
1482	I_smth = interp(Q_smth[p], Q_ext, I_ext )
1483
1484	Note/K I_smth
1485	Note I_smth , noteStr
1486	// Print "end of smoothed, note = ",note(I_smth)
1487
1488	Variable nq = numpnts(root:DSM:Q_smth)
1489	// Print "nq after smoothing = ",nq
1490
1491	//reset the global
1492	NVAR gNq = root:DSM:gNq
1493	gNq = nq
1494	//report the chi^2 difference between the smoothed curve and the experimental data
1495	NVAR chi2 = root:DSM:gChi2Smooth
1496	chi2 = SmoothedChi2(I_smth)
1497
1498	Execute "AppendSmoothed()"
1499
1500	setDataFolder root:
1501	return(0)
1502	End
1503
1504	// undo the smoothing and start over - useful if you've smoothed
1505	// too aggressively and need to back off
1506	Function DSM_SmoothUndoButtonProc(ctrlName) : ButtonControl
1507	String ctrlName
1508
1509	Execute "RemoveSmoothed()"
1510	SetDataFolder root:DSM
1511	Killwaves/Z I_smth,Q_smth,S_smth,Q_ext,I_ext,S_ext,Yi_SS,Yq_SS
1512	SetDataFolder root:
1513	return (0)
1514	end
1515
1516	//calculate the chi^2 value for the smoothed data
1517	Function SmoothedChi2(I_smth)
1518	Wave I_smth
1519
1520	//start from the "msk", if they exist
1521	if(exists("I_msk")==1 && exists("Q_msk")==1 && exists("S_msk")==1)
1522	Wave iw = root:DSM:I_msk
1523	Wave sw = root:DSM:S_msk
1524	else
1525	//start from the "_exp" waves
1526	if(exists("I_exp")==1 && exists("Q_exp")==1 && exists("S_exp")==1)
1527	Wave iw = root:DSM:I_exp
1528	Wave sw = root:DSM:S_exp
1529	endif
1530	endif
1531
1532	Variable ii,chi2,num
1533	chi2=0
1534	num = numpnts(iw)
1535	for(ii=0;ii<num;ii+=1)
1536	chi2 += (iw[ii] - I_smth[ii])^2 / (sw[ii])^2
1537	endfor
1538	Chi2 /= (num-1)
1539	return (chi2)
1540	end
1541
1542	// I_dsm is the desmeared data
1543	//
1544	// step (7) - desmearing is done, write out the result
1545	//
1546	Function DSM_SaveButtonProc(ctrlName) : ButtonControl
1547	String ctrlName
1548
1549	String saveStr
1550	SVAR curFile = root:DSM:gCurFile
1551	saveStr = CleanupName((curFile),0) //the output filename
1552	//
1553	WriteUSANSDesmeared(saveStr,0,0,1) //use the full set (lo=hi=0) and present a dialog
1554
1555	SetDataFolder root:
1556	return(0)
1557	End
1558
1559	Function DSM_HelpButtonProc(ctrlName) : ButtonControl
1560	String ctrlName
1561
1562	DisplayHelpTopic/Z/K=1 "Desmearing USANS Data"
1563	if(V_flag !=0)
1564	DoAlert 0,"The Desmearing USANS Data Help file could not be found"
1565	endif
1566	return(0)
1567	End
1568
1569
1570	//toggles the log/lin display of the loaded data set
1571	Function DSM_LoadCheckProc(ctrlName,checked) : CheckBoxControl
1572	String ctrlName
1573	Variable checked
1574
1575	ModifyGraph log=(checked)
1576	return(0)
1577	End
1578
1579
1580	Function DSM_ExtrapolationCheckProc(ctrlName,checked) : CheckBoxControl
1581	String ctrlName
1582	Variable checked
1583
1584	if(checked)
1585	AppendExtrapolation()
1586	else
1587	RemoveExtrapolation()
1588	endif
1589	return(0)
1590	End
1591
1592
1593	// takes as input the "working waves"
1594	//
1595	// creates intermediate waves to work on
1596	//
1597	// output of Q_dsm,I_dsm,S_dsm (and I_dsm_sm, the result of smearing I_dsm)
1598	//
1599	Function DSM_DesmearButtonProc(ctrlName) : ButtonControl
1600	String ctrlName
1601
1602	SetDataFolder root:DSM
1603	if(exists("I_smth")==1 && exists("Q_smth")==1 && exists("S_smth")==1)
1604	wave Q_smth = root:DSM:Q_smth
1605	Wave I_smth = root:DSM:I_smth
1606	Wave S_smth = root:DSM:S_smth
1607	Duplicate/O I_smth,I_work,Q_work,S_work
1608	I_work = I_smth
1609	Q_work = Q_smth
1610	S_work = S_smth
1611	else
1612	//start from the "msk", creating work waves
1613	if(exists("I_msk")==1 && exists("Q_msk")==1 && exists("S_msk")==1)
1614	wave Q_msk = root:DSM:Q_msk
1615	Wave I_msk = root:DSM:I_msk
1616	Wave S_msk = root:DSM:S_msk
1617	Duplicate/O I_msk,I_work,Q_work,S_work
1618	I_work = I_msk
1619	Q_work = Q_msk
1620	S_work = S_msk
1621	else
1622	//start from the "_exp" waves
1623	if(exists("I_exp")==1 && exists("Q_exp")==1 && exists("S_exp")==1)
1624	wave Q_exp = root:DSM:Q_exp
1625	Wave I_exp = root:DSM:I_exp
1626	Wave S_exp = root:DSM:S_exp
1627	Duplicate/O I_exp,I_work,Q_work,S_work
1628	I_work = I_exp
1629	Q_work = Q_exp
1630	S_work = S_exp
1631	endif
1632	endif
1633	endif
1634	SetDataFolder root:
1635
1636	NVAR nq = root:DSM:gNq
1637	NVAR m = root:DSM:gPowerM
1638	NVAR chi2_target = root:DSM:gChi2Target
1639	NVAR maxFastIter = root:DSM:gMaxFastIter
1640	NVAR maxSlowIter = root:DSM:gMaxSlowIter
1641
1642	// SET WEIGHTING OF EXPERIMENTAL DATA.
1643	Duplicate/O Q_work root:DSM:weights
1644	Wave weights = root:DSM:weights
1645	weights = 1/S_work^2
1646
1647	// calculate weighting array for smearing of data
1648	Make/O/D/N=(nq,nq) root:DSM:FW
1649	Wave FW = root:DSM:FW
1650	Weights_L(m,FW,Q_work)
1651
1652	// ^^^^ Iterative desmearing ^^^^*
1653	Variable chi2_old,chi2_new,done,iter
1654	// FOR 0TH ITERATION, EXPERIMENTAL DATA IS USED FOR Y_OLD, create ys_old for result
1655	// y_old = I_old, y_new = I_dsm, I_dsm_sm = ys_new,
1656	// duplicate preserves the wave note!
1657	Duplicate/O I_work root:DSM:I_old,root:DSM:Is_old,root:DSM:I_dsm,root:DSM:I_dsm_sm
1658	Duplicate/O Q_work root:DSM:Q_dsm,root:DSM:S_dsm //sets Q_dsm correctly
1659	wave S_dsm = root:DSM:S_dsm //set correctly at end of this function
1660	wave I_old = root:DSM:I_old
1661	wave Is_old = root:DSM:Is_old
1662	wave I_dsm = root:DSM:I_dsm
1663	wave I_dsm_sm = root:DSM:I_dsm_sm
1664	I_old = I_work
1665	Is_old = 0
1666	I_dsm = 0
1667	I_dsm_sm = 0
1668
1669	// Smear 0TH iter guess Y --> YS
1670	DSM_Smear(I_old,Is_old,NQ,FW)
1671	chi2_OLD = chi2(Is_old,I_work,weights,NQ)
1672
1673	printf "starting chi^2 = %g\r",chi2_old
1674	Print "Starting fast convergence..... "
1675
1676	done = 0 //false
1677	iter = 0
1678	Do // while not done, use Fast convergence
1679	I_dsm = I_work * I_old / Is_old // Calculate corrected guess (no need for do-loop)
1680
1681	// Smear iter guess I_dsm --> I_dsm_sm and see how well I_dsm_sm matches experimental data
1682	DSM_Smear(I_dsm,I_dsm_sm,NQ,FW)
1683	chi2_new = chi2(I_dsm_sm,I_work,weights,NQ)
1684
1685	// Stop iteration if fit from new iteration has worse fit...
1686	If (chi2_new > chi2_old)
1687	Done = 1
1688	Endif
1689
1690	// Stop iteration if fit is better than target value...
1691	If (chi2_new < chi2_target)
1692	Done = 1
1693	Else
1694	Iter += 1
1695	Printf "Iteration %d, Chi^2(new) = %g\r", Iter,chi2_new
1696	I_old = I_dsm
1697	Is_old = I_dsm_sm
1698	if(iter>maxFastIter)
1699	break
1700	endif
1701	CHI2_OLD = CHI2_NEW
1702	EndIf
1703	while( !done )
1704
1705	// append I_dsm,I_exp to the graph
1706	Execute "AppendDesmeared()"
1707	DoUpdate
1708
1709	// step (6) - refine the desmearing using slow convergence
1710	Print "Starting slow convergence..... "
1711	done = 0 // ! reset flag for slow convergence
1712	Do
1713	I_dsm = I_old + (I_work - Is_old) // Calculate corrected guess
1714
1715	// Smear iter guess Y --> YS
1716	DSM_Smear(I_dsm,I_dsm_sm,NQ,FW)
1717	chi2_new = chi2(I_dsm_sm,I_work,weights,NQ)
1718
1719	// Stop iteration if fit from new iteration has worse fit...
1720	If (chi2_new > chi2_old)
1721	Done = 1
1722	Endif
1723
1724	// Stop iteration if fit is better than target value...
1725	If (chi2_new < chi2_target)
1726	Done = 1
1727	Else
1728	Iter += 1
1729
1730	if(mod(iter, 50 ) ==0 )
1731	Printf "Iteration %d, Chi^2(new) = %g\r", Iter,chi2_new
1732	DoUpdate
1733	endif
1734	I_old = I_dsm
1735	Is_old = I_dsm_sm
1736
1737	CHI2_OLD = CHI2_NEW
1738	EndIf
1739	if(iter>maxSlowIter)
1740	break
1741	endif
1742	While ( !done )
1743
1744	Printf "Iteration %d, Chi^2(new) = %g\r", Iter,chi2_new
1745
1746	// adjust the error
1747	SetDataFolder root:DSM
1748	Duplicate/O S_work err
1749	S_dsm = abs(err/I_work*I_dsm) //proportional error
1750	//John simply keeps the same error as was read in from the smeared data set - is this right?
1751	// S_dsm = S_Work
1752
1753	NVAR gChi = root:DSM:gChi2Final //chi^2 final
1754	NVAR gIter = root:DSM:gIterations //total number of iterations
1755	gChi = chi2_new
1756	gIter = Iter
1757
1758	SVAR str = root:DSM:gIterStr
1759	sprintf str,"%d iterations required",iter
1760
1761	SetDataFolder root:
1762	return(0)
1763	End
1764
1765	Function DSM_RevertButtonProc(ctrlName) : ButtonControl
1766	String ctrlName
1767
1768	CleanUpJunk()
1769
1770	//reset the working waves to the original
1771	wave Q_exp_orig = root:DSM:Q_exp_orig
1772	wave I_exp_orig = root:DSM:I_exp_orig
1773	wave S_exp_orig = root:DSM:S_exp_orig
1774
1775	Duplicate/O Q_exp_orig root:DSM:Q_exp
1776	Duplicate/O I_exp_orig root:DSM:I_exp
1777	Duplicate/O S_exp_orig root:DSM:S_exp
1778	// kill the data folder
1779	// re-initialize?
1780
1781	return(0)
1782	End

Note: See TracBrowser for help on using the repository browser.

Download in other formats:

Original Format