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LinearizedFits_v40.ipf @ 1247

Last change on this file since 1247 was 1219, checked in by srkline, 3 years ago

Corrections to the NGB30mSANS attenuator tables (for 3A data only).

Corrections to the sample aperture units on VSANS (change in NICE on 5/22/19).

Additions for the super white beam mode on VSANS - still in progress.

File size: 41.7 KB

Line
1	#pragma rtGlobals=1 // Use modern global access method.
2	#pragma version=1.2
3	#pragma IgorVersion=6.1
4
5	///////////////////////////////
6	//procedures for creating and initializing the Linearized FIT panel
7	//global variables (numerical only) are kept in root:Packages:NIST:FIT folder
8	//
9	// this is based on the FIT routines in the SANS Reduction package, and has been modified here
10	// only to make it independent of the Reduction routines, and into "Package" format
11	//
12	// These procedures WILL conflict in namespace with the SANS Reduction routines
13	// in both Fit_Ops and VAX_Utils (and probably others...) so DO NOT
14	// try to include these...
15	//
16	// SRK 11 JAN 05
17	//
18	// Prepended "A_" to all of the procs and functions to avoid name conflicts
19	// with the FIT included in the reduction package
20	// - DID NOT prepend "A_" to the loader/unloader which is unique to this package
21	//
22	// SEP 2010 - absorbed the duplicate procedure file FIT_Ops.
23	// - removed "A_" prefix
24	// - need to keep A_OpenFitPanel() in case old experiments are looking for this
25	// - added the (completely unused) FITRPA procedures to this file
26	//
27	///////////////////////////////
28
29	//main procedures to open the panel, initializing the data folder and global variables
30	//as necessary. All are kept in a :FIT subfolder to avoid overlap with other variables
31	//
32	// To use any of the fit functions in the FIT panel, I(Q) data must already
33	// be loaded into memory (using "plot" from the 1-D data operations
34	// ** this may be useful to change in the future, replacing the 3 popups
35	// with a list box - allowing the user to pick/load the data from the fit panel
36	// and not offering any choice of q/i/s waves to use. (more consistent with the operation
37	// of the FIT/RPA panel)
38	//
39	Proc OpenFitPanel()
40	If(WinType("FitPanel") == 0)
41	//create the necessary data folder
42	NewDataFolder/O root:Packages
43	NewDataFolder/O root:Packages:NIST
44	NewDataFolder/O root:Packages:NIST:FIT
45	//initialize the values
46	Variable/G root:Packages:NIST:FIT:gLolim = 0.02
47	Variable/G root:Packages:NIST:FIT:gUplim = 0.04
48	Variable/G root:Packages:NIST:FIT:gExpA = 1
49	Variable/G root:Packages:NIST:FIT:gExpB = 1
50	Variable/G root:Packages:NIST:FIT:gExpC = 1
51	Variable/G root:Packages:NIST:FIT:gBack = 0
52	String/G root:Packages:NIST:FIT:gDataPopList = "none"
53	FitPanel()
54	else
55	//window already exists, just bring to front for update
56	DoWindow/F FitPanel
57	CheckBox check0,value=0 //deselect the checkbox to use cursors
58	endif
59	//pop the file menu
60	FIT_FilePopMenuProc("",1,"")
61	End
62
63	Proc A_OpenFitPanel()
64	OpenFitPanel()
65	End
66
67	//the actual window recreation macro to draw the fit panel. Globals and data folder must
68	// already be initialized
69	Window FitPanel()
70	String angst = StrVarOrDefault("root:Packages:NIST:gAngstStr", "A" )
71	// String angst = "A"
72	PauseUpdate; Silent 1 // building window...
73	NewPanel /W=(461,46,735,455)/K=1
74	ModifyPanel cbRGB=(32768,54615,65535), fixedSize=1
75	SetDrawLayer UserBack
76	DrawText 56,20,"Select Experimental Data"
77	DrawText 66,138,"q-range to fit ("+angst+"^-1)"
78	DrawText 42,268,"Select the y and x-axis scaling"
79	DrawLine 1,21,271,21
80	DrawLine -1,272,273,272
81	DrawLine -1,140,272,140
82	PopupMenu ywave,pos={13,60},size={154,19},title="Data File"
83	PopupMenu ywave,help={"Select the experimental intensity values"}
84	PopupMenu ywave,mode=1,value=root:Packages:NIST:FIT:gDataPopList,proc=FIT_FilePopMenuProc
85	Button loadButton,pos={13,92},size={130,20},proc=FIT_Load_Proc,title="Load and Plot File"
86	Button loadButton,help={"After choosing a file, load it into memory and plot it with this button."}
87	Button helpButton,pos={237,28},size={25,20},proc=showFITHelp,title="?"
88	Button helpButton,help={"Show help file for linearized fitting"}
89	PopupMenu ymodel,pos={20,281},size={76,19},title="y-axis"
90	PopupMenu ymodel,help={"This popup selects how the y-axis will be linearized based on the chosen data"}
91	PopupMenu ymodel,mode=1,value= #"\"I;log(I);ln(I);1/I;I^a;Iq^a;I^a q^b;1/sqrt(I);ln(Iq);ln(Iq^2)\""
92	Button GoFit,pos={60,367},size={70,20},proc=DispatchModel,title="Do the Fit"
93	Button GoFit,help={"This button will do the specified fit using the selections in this panel"}
94	Button DoneButton,pos={180,367},size={50,20},proc=FITDoneButton,title="Done"
95	Button DoneButton,help={"This button will close the panel and the associated graph"}
96	SetVariable lolim,pos={64,147},size={134,17},title="Lower Limit"
97	SetVariable lolim,help={"Enter the lower q-limit to perform the fit ("+angst+"^-1)"}
98	SetVariable lolim,limits={0,5,0},value= root:Packages:NIST:FIT:gLolim
99	SetVariable uplim,pos={63,169},size={134,17},title="Upper Limit"
100	SetVariable uplim,help={"Enter the upper q-limit to perform the fit ("+angst+"^-1)"}
101	SetVariable uplim,limits={0,5,0},value= root:Packages:NIST:FIT:gUplim
102	SetVariable expa,pos={13,311},size={80,17},title="pow \"a\""
103	SetVariable expa,help={"This sets the exponent \"a\" for some y-axis formats. The value is ignored if the model does not use an adjustable exponent"}
104	SetVariable expa,limits={-2,10,0},value= root:Packages:NIST:FIT:gExpA
105	SetVariable expb,pos={98,311},size={80,17},title="pow \"b\""
106	SetVariable expb,help={"This sets the exponent \"b\" for some x-axis formats. The value is ignored if the model does not use an adjustable exponent"}
107	SetVariable expb,limits={0,10,0},value= root:Packages:NIST:FIT:gExpB
108	PopupMenu xmodel,pos={155,280},size={79,19},title="x-axis"
109	PopupMenu xmodel,help={"This popup selects how the x-axis will be linearized given the chosen data"}
110	PopupMenu xmodel,mode=1,value= #"\"q;log(q);q^2;q^c\""
111	CheckBox check0,pos={18,223},size={240,20},title="Use cursor range from FitWindow"
112	CheckBox check0,help={"Checking this will perform a fit between the cursors on the graph in FitWindow and ignore the numerical limits typed above"},value=0
113	SetVariable back,pos={70,338},size={139,17},title="background"
114	SetVariable back,help={"This constant background value will be subtracted from the experimental intensity before fitting is done"}
115	SetVariable back,limits={-Inf,Inf,0},value= root:Packages:NIST:FIT:gBack
116	SetVariable expc,pos={182,310},size={80,17},title="pow \"c\""
117	SetVariable expc,help={"This sets the exponent \"c\" for some x-axis formats. The value is ignored if the model does not use \"c\" as an adjustable exponent"}
118	SetVariable expc,limits={-10,10,0},value= root:Packages:NIST:FIT:gExpC
119	Button sh_all,pos={65,193},size={130,20},proc=ShowAllButtonProc,title="Show Full q-range"
120	Button sh_all,help={"Use this to show the entire q-range of the data rather than just the fitted range."}
121
122	Button FIT_PathButton,pos={10,28},size={80,20},proc=FIT_PickPathButtonProc,title="Pick Path"
123
124	EndMacro
125
126
127	Proc FITDoneButton(ctrlName): ButtonControl
128	String ctrlName
129	DoWindow/K FitWindow
130	DoWindow/K FitPanel
131	end
132
133	Proc showFITHelp(ctrlName): ButtonControl
134	String ctrlName
135	DisplayHelpTopic/Z/K=1 "Linearized Fits"
136	if(V_flag != 0)
137	DoAlert 0, "The Linearized Fit Help file can not be found"
138	endif
139	end
140
141	//Loads the selected file for fitting
142	//graphs the data as needed
143	Proc FIT_Load_Proc(ctrlName): ButtonControl
144	String ctrlName
145
146	//Load the data
147	String tempName="",partialName=""
148	Variable err
149	ControlInfo $"ywave"
150	//find the file from the partial filename
151	If( (cmpstr(S_value,"")==0) \|\| (cmpstr(S_value,"none")==0) )
152	//null selection, or "none" from any popup
153	Abort "no file selected in popup menu"
154	else
155	//selection not null
156	partialName = S_value
157	Endif
158	//get a valid file based on this partialName and catPathName
159	tempName = FindValidFilename(partialName)
160
161	//prepend path to tempName for read routine
162	PathInfo catPathName
163
164	tempName = S_path + tempName
165
166	//load in the data (into the root directory)
167	A_LoadOneDDataWithName(tempName,0) //let Rescale_Data() do the plotting
168	//Print S_fileName
169	//Print tempName
170
171
172	String cleanLastFileName = "",dataStr = ""
173
174	cleanLastFileName = CleanupName(partialName,0)
175
176	//if the file name was too long, get the updated name
177	Variable maxLength=25
178	if(strlen(cleanLastFileName) > maxLength)
179	String newStr = root:Packages:NIST:gShortNameStr //set in ShortFileNameString()
180	cleanLastFileName = newStr
181	endif
182
183	dataStr = "root:"+cleanLastFileName+":"
184
185	tempName=dataStr + cleanLastFileName+"_q"
186	Duplicate/O $tempName xAxisWave
187	tempName=dataStr + cleanLastFileName+"_i"
188	Duplicate/O $tempName yAxisWave
189	tempName=dataStr + cleanLastFileName+"_s"
190	Duplicate/O $tempName yErrWave
191
192	//Plot, and adjust the scaling to match the axis scaling set by the popups
193	Rescale_Data(dataStr)
194
195	End
196
197	//gets a valid file list (simply not the files with ".SAn" in the name)
198	//
199	Function FIT_FilePopMenuProc(ctrlName,popNum,popStr) : PopupMenuControl
200	String ctrlName
201	Variable popNum
202	String popStr
203
204	String tempStr=filterButtonProc(ctrlName)
205	if(strlen(tempStr)==0)
206	tempStr = "Pick the data path"
207	Endif
208	String/G root:Packages:NIST:FIT:gDataPopList =tempStr
209	ControlUpdate ywave
210
211	End
212
213	//direct porting of the fit program from the VAX, with no corrections and only
214	//minor modifications of additional linearizations and the option
215	//to subtract a constant (q-independent) background value before doing any
216	//of the fits. The original data on disk (and as loaded) is never modified, all
217	//manipulation is done from a copy of the data.
218
219	//button procedure to show the entire axis range of the data, rather than just
220	//the fitted range, which is the default display after a fit is performed
221	//
222	Function ShowAllButtonProc(ctrlName) : ButtonControl
223	String ctrlName
224
225	//bring the FitWindow to the front and Autoscale the axes
226	DoWindow/F FitWindow
227	SetAxis/A
228	End
229
230	// function that takes the current dataset (already loaded)
231	// and replots it based on the X/Y axis scaling selected in the popups
232	// (does not fit the data)
233	//
234	// dataStr is the root:folder: of the data that was loaded
235	Function Rescale_Data(dataStr)
236	String dataStr
237
238	//Scaling exponents and background value
239	Variable pow_a,pow_b,pow_c,bkg
240	ControlInfo/W=FitPanel expa
241	pow_a = V_value
242	ControlInfo/W=FitPanel expb
243	pow_b = V_value
244	ControlInfo/W=FitPanel expc
245	pow_c = V_value
246	ControlInfo/W=FitPanel back
247	bkg = V_value
248
249	//check for physical limits on exponent values
250	// if bad values found, alert, and reset to good values so the rescaling can continue
251	NVAR gA = root:Packages:NIST:FIT:gExpA
252	NVAR gB = root:Packages:NIST:FIT:gExpB
253	NVAR gC = root:Packages:NIST:FIT:gExpC
254	if((pow_a < -2) \|\| (pow_a > 10))
255	DoAlert 0,"Exponent a must be in the range (-2,10) - the exponent a has been reset to 1"
256	gA = 1
257	endif
258	if((pow_b < 0) \|\| (pow_b > 10))
259	DoAlert 0,"Exponent b must be in the range (0,10) - the exponent b has been reset to 1"
260	gB = 1
261	endif
262	//if q^c is the x-scaling, c must be be within limits and also non-zero
263	ControlInfo/W=FitPanel xModel
264	If (cmpstr("q^c",S_Value) == 0)
265	if(pow_c == 0)
266	DoAlert 0,"Exponent c must be non-zero, c has been reset to 1"
267	gC = 1
268	endif
269	if((pow_c < -10) \|\| (pow_c > 10))
270	DoAlert 0,"Exponent c must be in the range (-10,10), c has been reset to 1"
271	gC = 1
272	endif
273	endif
274
275	//do the rescaling of the data
276	// get the current experimental q, I, and std dev. waves (as they would be loaded )
277	String baseStr = ParseFilePath(0,dataStr,":",1,0) //give me the last part of the path
278
279	Wave xw = $(dataStr+baseStr+"_q")
280	Wave yw = $(dataStr+baseStr+"_i")
281	Wave ew = $(dataStr+baseStr+"_s")
282
283	//variables set for each model to control look of graph
284	Variable xlow,xhigh,ylow,yhigh,yes_cursors
285	String xlabel,ylabel,xstr,ystr
286	//check for proper y-scaling selection, make the necessary waves
287	ControlInfo/W=FitPanel yModel
288	ystr = S_Value
289	// print "ystr = ",ystr
290	do
291	// make the new yaxis waves, including weighting wave
292	Duplicate/O yw yAxisWave,yErrWave,yWtWave,residWave
293	//subtract the background value from yAxisWave before doing any rescaling
294	yAxisWave = yw - bkg
295
296	If (cmpstr("I",S_Value) == 0)
297	SetScale d 0,0,"1/cm",yAxisWave
298	yErrWave = ew
299	yWtWave = 1/yErrWave
300	yAxisWave = yAxisWave
301	ylabel = "I(q)"
302	break
303	endif
304	If (cmpstr("ln(I)",S_Value) == 0)
305	SetScale d 0,0,"",yAxisWave
306	yErrWave = ew/yAxisWave
307	yWtWave = 1/yErrWave
308	yAxisWave = ln(yAxisWave)
309	ylabel = "ln(I)"
310	break
311	endif
312	If (cmpstr("log(I)",S_Value) == 0)
313	SetScale d 0,0,"",yAxisWave
314	yErrWave = ew/(2.30*yAxisWave)
315	yWtWave = 1/yErrWave
316	yAxisWave = log(yAxisWave)
317	ylabel = "log(I)"
318	break
319	endif
320	If (cmpstr("1/I",S_Value) == 0)
321	SetScale d 0,0,"",yAxisWave
322	yErrWave = ew/yAxisWave^2
323	yWtWave = 1/yErrWave
324	yAxisWave = 1/yAxisWave
325	ylabel = "1/I"
326	break
327	endif
328	If (cmpstr("I^a",S_Value) == 0)
329	SetScale d 0,0,"",yAxisWave
330	yErrWave = ewabs(pow_a(yAxisWave^(pow_a-1)))
331	yWtWave = 1/yErrWave
332	yAxisWave = yAxisWave^pow_a
333	ylabel = "I^"+num2str(pow_a)
334	break
335	endif
336	If (cmpstr("Iq^a",S_Value) == 0)
337	SetScale d 0,0,"",yAxisWave
338	yErrWave = ew*xw^pow_a
339	yWtWave = 1/yErrWave
340	yAxisWave = yAxisWave*xw^pow_a
341	ylabel = "I*q^"+num2str(pow_a)
342	break
343	endif
344	If (cmpstr("I^a q^b",S_Value) == 0)
345	SetScale d 0,0,"",yAxisWave
346	yErrWave = ewabs(pow_a(yAxisWave^(pow_a-1)))*xw^pow_b
347	yWtWave = 1/yErrWave
348	yAxisWave = yAxisWave^pow_a*xw^pow_b
349	ylabel = "I^" + num2str(pow_a) + "q^"+num2str(pow_b)
350	break
351	endif
352	If (cmpstr("1/sqrt(I)",S_Value) == 0)
353	SetScale d 0,0,"",yAxisWave
354	yErrWave = 0.5ewyAxisWave^(-1.5)
355	yWtWave = 1/yErrWave
356	yAxisWave = 1/sqrt(yAxisWave)
357	ylabel = "1/sqrt(I)"
358	break
359	endif
360	If (cmpstr("ln(Iq)",S_Value) == 0)
361	SetScale d 0,0,"",yAxisWave
362	yErrWave =ew/yAxisWave
363	yWtWave = 1/yErrWave
364	yAxisWave = ln(xw*yAxisWave)
365	ylabel = "ln(q*I)"
366	break
367	endif
368	If (cmpstr("ln(Iq^2)",S_Value) == 0)
369	SetScale d 0,0,"",yAxisWave
370	yErrWave = ew/yAxisWave
371	yWtWave = 1/yErrWave
372	yAxisWave = ln(xwxwyAxisWave)
373	ylabel = "ln(I*q^2)"
374	break
375	endif
376	//more ifs for each case
377
378	// if selection not found, abort
379	DoAlert 0,"Y-axis scaling incorrect. Aborting"
380	Abort
381	while(0) //end of "case" statement for y-axis scaling
382
383
384	//check for proper x-scaling selection
385	Variable low,high
386
387	ControlInfo/W=FitPanel lolim
388	low = V_value
389	ControlInfo/W=FitPanel uplim
390	high = V_value
391	if ((high<low) \|\| (high==low))
392	DoAlert 0,"Unphysical fitting limits - re-enter better values"
393	Abort
394	endif
395
396	ControlInfo/W=FitPanel xModel
397	xstr = S_Value
398	do
399	// make the new yaxis wave
400	Duplicate/o xw xAxisWave
401	If (cmpstr("q",S_Value) == 0)
402	SetScale d 0,0,"A^-1",xAxisWave
403	xAxisWave = xw
404	xlabel = "q"
405	xlow = low
406	xhigh = high
407	break
408	endif
409	If (cmpstr("q^2",S_Value) == 0)
410	SetScale d 0,0,"A^-2",xAxisWave
411	xAxisWave = xw*xw
412	xlabel = "q^2"
413	xlow = low^2
414	xhigh = high^2
415	break
416	endif
417	If (cmpstr("log(q)",S_Value) == 0)
418	SetScale d 0,0,"",xAxisWave
419	xAxisWave = log(xw)
420	xlabel = "log(q)"
421	xlow = log(low)
422	xhigh = log(high)
423	break
424	endif
425	If (cmpstr("q^c",S_Value) == 0)
426	SetScale d 0,0,"",xAxisWave
427	xAxisWave = xw^pow_c
428	xlabel = "q^"+num2str(pow_c)
429	xlow = low^pow_c
430	xhigh = high^pow_c
431	break
432	endif
433
434	//more ifs for each case
435
436	// if selection not found, abort
437	DoAlert 0,"X-axis scaling incorrect. Aborting"
438	Abort
439	while(0) //end of "case" statement for x-axis scaling
440
441	//plot the data
442
443	// String cleanLastFileName = "root:"+CleanupName(gLastFileName,0)
444	If(WinType("FitWindow") == 0)
445	Display /W=(5,42,480,400)/K=1 yAxisWave vs xAxisWave
446	ModifyGraph mode=3,standoff=0,marker=8,opaque=1
447	ErrorBars/T=0 yAxisWave Y,wave=(yErrWave,yErrWave)
448	DoWindow/C FitWindow
449	else
450	//window already exists, just bring to front for update
451	DoWindow/F FitWindow
452	// remove old text boxes
453	TextBox/K/N=text_1
454	TextBox/K/N=text_2
455	TextBox/K/N=text_3
456	endif
457	SetAxis/A
458	ModifyGraph tickUnit=1 //suppress tick units in labels
459	TextBox/C/N=textLabel/A=RB "File = "+baseStr
460	//clear the old fit from the window, if it exists
461	RemoveFromGraph/W=FitWindow/Z fit_yAxisWave
462
463	// add the cursors if desired...
464	//see if the user wants to use the data specified by the cursors - else use numerical values
465
466	ControlInfo/W=FitPanel check0 //V_value = 1 if it is checked, meaning yes, use cursors
467	yes_cursors = V_value
468
469	DoWindow/F FitWindow
470	ShowInfo
471	if(yes_cursors)
472	xlow = xAxisWave[xcsr(A)]
473	xhigh = xAxisWave[xcsr(B)]
474	if(xlow > xhigh)
475	xhigh = xlow
476	xlow = xAxisWave[xcsr(B)]
477	endif
478	// Print xlow,xhigh
479	else
480	FindLevel/P/Q xAxisWave, xlow
481	if(V_flag == 1) //level NOT found
482	DoAlert 0,"Lower q-limit not in experimental q-range. Re-enter a better value"
483	//DoWindow/K FitWindow
484	//Abort
485	endif
486	Cursor/P A, yAxisWave,trunc(V_LevelX)+1
487	ylow = V_LevelX
488	FindLevel/P/Q xAxisWave, xhigh
489	if(V_flag == 1)
490	DoAlert 0,"Upper q-limit not in experimental q-range. Re-enter a better value"
491	//DoWindow/K FitWindow
492	//Abort
493	endif
494	Cursor/P B, yAxisWave,trunc(V_LevelX)
495	yhigh = V_LevelX
496	endif //if(V_value)
497	//SetAxis bottom,xlow,xhigh
498	//SetAxis left,ylow,yhigh
499	Label left ylabel
500	Label bottom xlabel //E denotes "scaling" - may want to use "units" instead
501
502	End
503
504
505	//button procedure that is activated to "DotheFit"
506	//the panel is parsed for proper fitting limits
507	// the appropriate linearization is formed (in the Rescale_Data() function)
508	// and the fit is done,
509	//and the results are plotted
510	// function works in root level data folder (where the loaded 1-d data will be)
511	Function DispatchModel(GoFit) : ButtonControl
512	String GoFit
513
514	//check for the FitWindow - to make sure that there is data to fit
515	If(WinType("FitWindow") == 0) //if the window doesn't exist
516	Abort "You must Load and Plot a File before fitting the data"
517	endif
518
519	// rescale the data, to make sure it's as selected on the panel
520	ControlInfo/W=FitPanel $"ywave"
521	String partialName = CleanupName(S_value,0)
522
523	//if the file name was too long, get the updated name. Can't guarantee that the global string set by
524	// ShortFileNameString is the currently selected data set, so make the user find the right data set
525	//
526	Variable maxLength
527	if(IgorVersion() < 8)
528	maxLength = 25
529	else
530	maxLength = 40
531	endif
532
533	if(strlen(partialName) > maxLength)
534	// get user input, from a list of all of the data folder names
535	String dfList = sortList(GetAList(4))
536	String dataFolder=""
537	Prompt dataFolder,"Data files to choose from...",popup,dfList
538
539	DoPrompt "Select data set",dataFolder
540	if(V_Flag==1) //user canceled
541	SetDataFolder root:
542	return(1)
543	endif
544	partialName = dataFolder
545	endif
546	Rescale_Data("root:"+partialName+":")
547
548	// now go do the fit
549
550	// get the current low and high q values for fitting
551	Variable low,high
552
553	ControlInfo/W=FitPanel lolim
554	low = V_value
555	ControlInfo/W=FitPanel uplim
556	high = V_value
557	if ((high<low) \|\| (high==low))
558	DoAlert 0,"Unphysical fitting limits - re-enter better values"
559	Abort
560	endif
561
562	//try including residuals on the graph /R=residWave, explicitly place on new axis
563	//if only /R used, residuals are automatically placed on graph
564	// -- NOTE that Rescale_Data() calculates the weighting wave as 1/err (like the old days) so the flag is correctly
565	// /I=0, not /I=1
566
567	CurveFit line yAxisWave(xcsr(A),xcsr(B)) /I=0 /X=xAxisWave /W=yWtWave /D
568	//CurveFit line yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /R /D
569	ModifyGraph rgb(fit_yAxisWave)=(0,0,0)
570	// annotate graph, filtering out special cases of Guinier fits
571	// Text Boxes must be used, since ControlBars on graphs DON'T print out
572
573	// need access to Global wave, result of fit
574	//ystr and xstr are the axis strings - filter with a do-loop
575	String ystr="",xstr=""
576	//ControlInfo/W=FitPanel ywave
577	Wave xw = $("root:"+partialName+":"+partialName + "_q")
578	ControlInfo/W=FitPanel yModel
579	ystr = S_Value
580	ControlInfo/W=FitPanel xModel
581	xstr = S_Value
582
583	WAVE W_coef=W_coef
584	WAVE W_sigma=W_sigma
585	String textstr_1,textstr_2,textstr_3 = ""
586	Variable rg,rgerr,minfit,maxfit,izerr
587
588	textstr_1 = "Slope = " + num2str(W_coef[1]) + " ± " + num2str(W_sigma[1])
589	textstr_1 += "\rIntercept = " + num2str(W_coef[0]) + " ± " + num2str(W_sigma[0])
590	textstr_1 += "\rChi-Squared = " + num2str(V_chisq/(V_npnts - 3))
591
592	minfit = xw[xcsr(A)]
593	maxfit = xw[xcsr(B)]
594	textstr_2 = "Qmin = " + num2str(minfit)
595	textstr_2 += "\rQmax = " + num2str(maxfit)
596
597	//model-specific calculations - I(0), Rg, etc.
598	//put these in textstr_3, at bottom
599	do
600	If (cmpstr("I",ystr) == 0)
601	textstr_3 = "I(q=0) = " + num2str(W_coef[0]) +" ± "+num2str(W_sigma[0])
602	break
603	endif
604	If (cmpstr("ln(I)",ystr) == 0)
605	izerr = abs(exp(W_coef[0]) - exp(W_coef[0]+W_sigma[0]))
606	textstr_3 = "I(q=0) = " + num2str(exp(W_coef[0]))+" ± " + num2str(izerr)
607	if(cmpstr("q^2",xstr) == 0) //then a Guinier plot for a sphere (3-d)
608	rg = sqrt(-3*W_coef[1])
609	rgerr = 3W_sigma[1]/(2rg)
610	textstr_3 += "\rRg (A) = " + num2str(rg) + " ± " + num2str(rgerr)
611	textstr_3 += "\r" + num2str(rgminfit) + " < Rgq < " + num2str(rg*maxfit)
612	break
613	endif
614	break
615	endif
616	If (cmpstr("log(I)",ystr) == 0)
617	if(cmpstr("log(q)",xstr) !=0 ) //extrapolation is nonsense
618	textstr_3 = "I(q=0) = " + num2str(10^(W_coef[0]))
619	endif
620	break
621	endif
622	If (cmpstr("1/I",ystr) == 0)
623	izerr = abs(1/W_coef[0] - 1/(W_coef[0]+W_sigma[0]))
624	textstr_3 = "I(q=0) = " + num2str(1/W_coef[0])+" ± " + num2str(izerr)
625	break
626	endif
627	If (cmpstr("I^a",ystr) == 0)
628	//nothing
629	break
630	endif
631	If (cmpstr("Iq^a",ystr) == 0)
632	//nothing
633	break
634	endif
635	If (cmpstr("I^a q^b",ystr) == 0)
636	//nothing
637	break
638	endif
639	If (cmpstr("1/sqrt(I)",ystr) == 0)
640	izerr = abs( (W_coef[0])^-2 - (W_coef[0]+W_sigma[0])^-2 )
641	textstr_3 = "I(q=0) = " + num2str((W_coef[0])^-2)+" ± " + num2str(izerr)
642	break
643	endif
644	If (cmpstr("ln(Iq)",ystr) == 0)
645	//nothing
646	if(cmpstr("q^2",xstr) == 0) //then a x-sect Guinier plot for a rod (2-d)
647	// rg now is NOT the radius of gyration, but the x-sect DIAMETER
648	rg = 4*sqrt(-W_coef[1])
649	rgerr = 8*W_sigma[1]/rg
650	textstr_3 = "Rod diameter (A) = " + num2str(rg) + " ± " + num2str(rgerr)
651	textstr_3 += "\r" + num2str(rgminfit) + " < Rgq < " + num2str(rg*maxfit)
652	break
653	endif
654	break
655	endif
656	If (cmpstr("ln(Iq^2)",ystr) == 0)
657	//nothing
658	if(cmpstr("q^2",xstr) == 0) //then a 1-d Guinier plot for a sheet
659	// rg now is NOT the radius of gyration, but the thickness
660	rg = sqrt(-12*W_coef[1])
661	rgerr = 6W_sigma[1]/(2rg)
662	textstr_3 = "Platelet thickness (A) = " + num2str(rg) + " ± " + num2str(rgerr)
663	textstr_3 += "\r" + num2str(rgminfit) + " < Rgq < " + num2str(rg*maxfit)
664	break
665	endif
666	break
667	endif
668
669	while(0)
670	//kill the old textboxes, if they exist
671	TextBox/W=FitWindow/K/N=text_1
672	TextBox/W=FitWindow/K/N=text_2
673	TextBox/W=FitWindow/K/N=text_3
674	// write the new text boxes
675	TextBox/W=FitWindow/N=text_1/A=LT textstr_1
676	TextBox/W=FitWindow/N=text_2/A=LC textstr_2
677	If (cmpstr("",textstr_3) != 0) //only display textstr_3 if it isn't null
678	TextBox/W=FitWindow/N=text_3/A=LB textstr_3
679	endif
680
681	//adjust the plot range to reflect the actual fitted range
682	//cursors are already on the graph, done by Rescale_Data()
683	AdjustAxisToCursors()
684
685	End
686
687	// adjusts both the x-axis scaling and y-axis scaling to the cursor range
688	// **cursors are already on the graph, done by Rescale_Data()
689	//
690	// will expand the scale to show an extra 5 points in each direction (if available)
691	Function AdjustAxisToCursors()
692
693	DoWindow/F FitWindow
694	WAVE xAxisWave = root:xAxisWave
695	WAVE yAxisWave = root:yAxisWave
696	Variable xlow,xhigh,ylow,yhigh,yptlow,ypthigh
697	Variable extraPts = 5, num=numpnts(xAxisWave)
698
699	String csrA = CsrInfo(A ,"FitWindow")
700	String csrB = CsrInfo(B ,"FitWindow")
701
702	//x-levels, these are monotonic
703	Variable ptLow,ptHigh,tmp
704	ptLow = NumberByKey("POINT", csrA ,":" ,";")
705	ptHigh = NumberByKey("POINT", csrB ,":" ,";")
706	if(ptLow > ptHigh)
707	tmp= ptLow
708	ptLow=ptHigh
709	ptHigh=tmp
710	endif
711
712	// keep extended point range in bounds
713	ptLow = (ptLow-extraPts) >= 0 ? ptLow-extraPts : 0
714	ptHigh = (ptHigh+extraPts) <= (num-1) ? ptHigh + extraPts : num-1
715
716	xlow = xAxisWave[ptLow]
717	xhigh = xAxisWave[ptHigh]
718	//old way
719	// xlow = xAxisWave[xcsr(A)]
720	// xhigh = xAxisWave[xcsr(B)]
721	// if(xlow > xhigh)
722	// xhigh = xlow
723	// xlow = xAxisWave[xcsr(B)]
724	// endif
725
726	//y-levels (old way)
727	// FindLevel/P/Q xAxisWave, xlow
728	// if(V_flag == 1) //level NOT found
729	// DoAlert 0,"Lower q-limit not in experimental q-range. Re-enter a better value"
730	// endif
731	// yptlow = V_LevelX
732	// FindLevel/P/Q xAxisWave, xhigh
733	// if(V_flag == 1)
734	// DoAlert 0,"Upper q-limit not in experimental q-range. Re-enter a better value"
735	// endif
736	// ypthigh = V_LevelX
737
738	// Print xlow,xhigh,yptlow,ypthigh
739	// Print yAxisWave[yptlow],yAxisWave[ypthigh]
740
741
742	// make sure ylow/high are in the correct order, since the slope could be + or -
743	yhigh = max(yAxisWave[ptlow],yAxisWave[pthigh])
744	ylow = min(yAxisWave[ptlow],yAxisWave[pthigh])
745
746	// Print ptLow,ptHigh
747	// print xlow,xhigh
748	// print ylow,yhigh
749
750	SetAxis bottom,xlow,xhigh
751	SetAxis left ylow,yhigh
752
753	End
754
755	///// procedures added from other SANS Reduction files
756	//
757	//
758
759	//function called by the popups to get a file list of data that can be sorted
760	// this procedure simply removes the raw data files from the string - there
761	//can be lots of other junk present, but this is very fast...
762	//
763	// could also use the alternate procedure of keeping only file with the proper extension
764	//
765	// another possibility is to get a listing of the text files, but is unreliable on
766	// Windows, where the data file must be .txt (and possibly OSX)
767	//
768	Function/S filterButtonProc(ctrlName)
769	String ctrlName
770
771	String newList=""
772	// String list="",newList="",item=""
773	// Variable num,ii
774	//
775	// //check for the path
776	// PathInfo catPathName
777	// if(V_Flag==0)
778	// DoAlert 0, "Data path does not exist - pick the data path from the button on the FIT panel"
779	// Return("")
780	// Endif
781	//
782	// list = IndexedFile(catpathName,-1,"????")
783	// num=ItemsInList(list,";")
784	// //print "num = ",num
785	// for(ii=(num-1);ii>=0;ii-=1)
786	// item = StringFromList(ii, list ,";")
787	// //simply remove all that are not raw data files (SA1 SA2 SA3)
788	// if( !stringmatch(item,".SA1") && !stringmatch(item,".SA2") && !stringmatch(item,".SA3") )
789	// if( !stringmatch(item,".") && !stringmatch(item,".pxp") && !stringmatch(item,"*.DIV")) //eliminate mac "hidden" files, pxp, and div files
790	// newlist += item + ";"
791	// endif
792	// endif
793	// endfor
794	// //remove VAX version numbers
795	// newList = RemoveVersNumsFromList(newList)
796	// //sort
797	// newList = SortList(newList,";",0)
798
799	// Jan 2013 -- replaced with a utility function that filters out raw, div, mask, etc.
800	newList = A_ReducedDataFileList("")
801
802	return newlist
803	End
804
805
806
807	//////////////////////////////////////// FIT RPA ///////////////////////////////////////////
808	//****************************************
809	//procedures for creating and initializing the FITRPA panel
810	//global variables (numerical only) are kept in root:myGlobals:FITRPA folder,
811	//created as needed
812	//
813	// very similar in function to the FIT panel
814	//
815	Proc OpenFitRPAPanel()
816	If(WinType("FitRPAPanel") == 0)
817	//create the necessary data folder
818	NewDataFolder/O root:myGlobals:FITRPA
819	//initialize the values
820	Variable/G root:myGlobals:FITRPA:gLolim = 0.02
821	Variable/G root:myGlobals:FITRPA:gUplim = 0.04
822	Variable/G root:myGlobals:FITRPA:gBack = 0
823	Variable/G root:myGlobals:FITRPA:gLambda = 6.0
824	PathInfo/S catPathName
825	String localpath = S_path
826	if (V_flag == 0)
827	//path does not exist - no folder selected
828	String/G root:myGlobals:FITRPA:gPathStr = "no folder selected"
829	else
830	String/G root:myGlobals:FITRPA:gPathStr = localpath
831	endif
832	String/G root:myGlobals:FITRPA:gDataPopList = "none"
833	FitRPAPanel()
834	else
835	//window already exists, just bring to front for update
836	DoWindow/F FitRPAPanel
837	endif
838	//pop the menu
839	FilePopMenuProc("",1,"")
840	End
841
842	//used on the fit/rpa panel to select the path for the data
843	// - automatically pops the file list after the new path selection
844	Function FITRPAPickPathButton(ctrlName) : ButtonControl
845	String ctrlName
846
847	Variable err = A_PickPath() //sets global path value
848	SVAR pathStr = root:myGlobals:gCatPathStr
849
850	//set the global string for NSORT to the selected pathname
851	String/G root:myGlobals:FITRPA:gPathStr = pathStr
852
853	//call the popup menu proc's to re-set the menu choices
854	FilePopMenuProc("filePopup",1,"")
855
856	End
857
858	//gets a valid file list (simply not the files with ".SAn" in the name)
859	//
860	Function FilePopMenuProc(ctrlName,popNum,popStr) : PopupMenuControl
861	String ctrlName
862	Variable popNum
863	String popStr
864
865	String tempStr=ReducedDataFileList(ctrlName)
866	if(strlen(tempStr)==0)
867	tempStr = "Pick the data path"
868	Endif
869	String/G root:myGlobals:FITRPA:gDataPopList = tempStr //function is in NSORT.ipf
870	ControlUpdate filePopup
871
872	End
873
874
875
876	// window recreation macro to draw the fit/rpa panel
877	//globals and data folders must be present before drawing panel
878	//
879	Window FitRPAPanel()
880
881	String angst = root:Packages:NIST:gAngstStr
882	PauseUpdate; Silent 1 // building window...
883	NewPanel /W=(250,266,591,579)/K=1
884	ModifyPanel cbRGB=(32768,54528,65280)
885	ModifyPanel fixedSize=1
886	SetDrawLayer UserBack
887	SetDrawEnv fstyle= 1
888	DrawText 81,19,"Select Experimental Data"
889	SetDrawEnv fstyle= 1
890	DrawText 97,102,"q-range to fit ("+angst+"^-1)"
891	SetDrawEnv fstyle= 1
892	DrawText 87,239,"Select the fit parameters"
893	SetDrawEnv fillpat= 0
894	DrawRect 1,103,338,224
895	SetDrawEnv fillpat= 0
896	DrawRect 1,20,337,83
897	SetDrawEnv fillpat= 0
898	DrawRect 2,241,337,275
899	// Button PathButton,pos={6,26},size={80,20},proc=FitRPAPickPathButton,title="Pick Path"
900	// Button PathButton,help={"Select the local path to the folder containing your SANS data"}
901	// SetVariable setPath,pos={95,29},size={240,17},title="Path:"
902	// SetVariable setPath,help={"The current path to the local folder with SANS data"}
903	// SetVariable setPath,fSize=10
904	// SetVariable setPath,limits={0,0,0},value= root:myGlobals:FITRPA:gPathStr
905	PopupMenu filePopup,pos={8,30},size={96,21},proc=FilePopMenuProc,title="Files"
906	PopupMenu filePopup,help={"Select the data file to load."}
907	PopupMenu filePopup,mode=5,popvalue="none",value= #"root:myGlobals:FITRPA:gDataPopList"
908	SetVariable lambda,pos={111,250},size={120,18},title="Lambda ("+angst+")"
909	SetVariable lambda,help={"This sets the wavelength for the multiple scattering corrections."}
910	SetVariable lambda,limits={0,10,0},value= root:myGlobals:FITRPA:gLambda
911	Button GoFit,pos={60,286},size={80,20},proc=DoFITRPA,title="Do the Fit"
912	Button GoFit,help={"This button will do the specified fit using the selections in this panel"}
913	SetVariable lolim,pos={82,113},size={134,28},title="Lower Limit"
914	SetVariable lolim,help={"Enter the lower q-limit to perform the fit ("+angst+"^-1)"}
915	SetVariable lolim,limits={0,5,0},value= root:myGlobals:FITRPA:gLolim
916	SetVariable uplim,pos={80,140},size={134,28},title="Upper Limit"
917	SetVariable uplim,help={"Enter the upper q-limit to perform the fit ("+angst+"^-1)"}
918	SetVariable uplim,limits={0,5,0},value= root:myGlobals:FITRPA:gUplim
919	CheckBox RPA_check0,pos={64,198},size={190,20},title="Use cursor range from FitWindow"
920	CheckBox RPA_check0,help={"Checking this will perform a fit between the cursors on the graph in FitWindow and ignore the numerical limits typed above"},value=0
921	PopupMenu model,pos={3,249},size={101,21},title="Standard"
922	PopupMenu model,help={"This popup selects which standard should be used to fit this data"}
923	PopupMenu model,mode=1,popvalue="B",value= #"\"B;C;AS\""
924	Button sh_all,pos={82,168},size={130,20},proc=ShowAllButtonProc,title="Show Full q-range"
925	Button sh_all,help={"Use this to show the entire q-range of the data rather than just the fitted range."}
926	Button loadButton,pos={20,55},size={70,20},proc=FITRPA_Load_Proc,title="Load File"
927	Button loadButton,help={"After choosing a file, load it into memory and plot it with this button."}
928	Button helpButton,pos={270,55},size={25,20},proc=showFITHelp,title="?"
929	Button helpButton,help={"Show help file for RPA fitting"}
930	Button DoneButton,pos={200,286},size={50,20},proc=FITRPADoneButton,title="Done"
931	Button DoneButton,help={"This button will close the panel and the associated graph"}
932	EndMacro
933
934
935	Proc FITRPADoneButton(ctrlName) : ButtonControl
936	String ctrlName
937	DoWindow/K FitWindow
938	DoWindow/K FitRPAPanel
939	end
940
941	//dispatches the fit to the appropriate model
942	//and the appropriate range, based on selections in the panel
943	//
944	Proc DoFITRPA(ctrlName) : ButtonControl
945	String ctrlName
946	//
947	String cleanLastFileName = CleanupName(root:Packages:NIST:gLastFileName,0)
948	String tmpStr = "root:"+cleanLastFileName+":"+cleanLastFileName
949
950	Duplicate/O $(tmpStr+"_q") xAxisWave
951	Duplicate/O $(tmpStr+"_i") yAxisWave
952	Duplicate/O $(tmpStr+"_s") yErrWave,yWtWave,residWave
953
954	yWtWave = 1/yErrWave
955
956	String xlabel = "q (A^-1)"
957	String ylabel = "Intensity"
958	//Check to see if the FitWindow exists
959	//Plot the data in a FitWindow
960	If(WinType("FitWindow") == 0)
961	Display /W=(5,42,480,400)/K=1 yAxisWave vs xAxisWave
962	ModifyGraph mode=3,standoff=0,marker=8
963	ErrorBars/T=0 yAxisWave Y,wave=(yErrWave,yErrWave)
964	DoWindow/C FitWindow
965	ShowInfo
966	else
967	//window already exists, just bring to front for update
968	DoWindow/F FitWindow
969	// remove old text boxes
970	TextBox/K/N=text_1
971	TextBox/K/N=text_2
972	TextBox/K/N=text_3
973	endif
974
975	//see if the user wants to use the data specified by the cursors - else use numerical values
976	Variable xlow,xhigh,ylow,yhigh,yes_cursors
977	ControlInfo/W=FitRPAPanel RPA_check0 //V_value = 1 if it is checked, meaning yes, use cursors
978	yes_cursors = V_value
979
980	ControlInfo/W=FitRPAPanel lolim
981	xlow = V_value
982	ControlInfo/W=FitRPAPanel uplim
983	xhigh = V_value
984	if(yes_cursors)
985	xlow = xAxisWave[xcsr(A)]
986	xhigh = xAxisWave[xcsr(B)]
987	if(xlow > xhigh)
988	xhigh = xlow
989	xlow = xAxisWave[xcsr(B)]
990	endif
991	// Print "xlow,xhigh = ",xlow,xhigh
992	ylow = yAxisWave[xcsr(A)]
993	yhigh = yAxisWave[xcsr(B)]
994	if(ylow > yhigh)
995	ylow=yhigh
996	yhigh = yAxisWave[xcsr(A)]
997	endif
998	else
999	FindLevel/P/Q xAxisWave, xlow
1000	if(V_flag == 1) //level NOT found
1001	DoAlert 0,"Lower q-limit not in experimental q-range. Re-enter a better value"
1002	DoWindow/K FitWindow
1003	Abort
1004	endif
1005	Cursor/P A, yAxisWave,trunc(V_LevelX)+1
1006	ylow = yAxisWave[V_LevelX]
1007	FindLevel/P/Q xAxisWave, xhigh
1008	if(V_flag == 1)
1009	DoAlert 0,"Upper q-limit not in experimental q-range. Re-enter a better value"
1010	DoWindow/K FitWindow
1011	Abort
1012	endif
1013	Cursor/P B, yAxisWave,trunc(V_LevelX)
1014	yhigh = yAxisWave[V_LevelX]
1015	if(ylow > yhigh)
1016	yhigh=ylow
1017	ylow = yAxisWave[V_levelX]
1018	endif
1019	endif //if(V_value)
1020	SetAxis bottom,xlow,xhigh
1021
1022	// print "ylow,yhigh",ylow,yhigh
1023
1024	//Get the rest of the data from the panel
1025	//such as which standard, the wavelength
1026	ControlInfo/W=FitRPAPanel model
1027
1028	//find the model name
1029	String modelName = S_value
1030
1031	Variable first_guess, seglength,iabs,iarb,thick
1032	Make/D/O/N=2 fitParams
1033
1034	seglength = 6.8
1035
1036	first_guess = 1.0
1037	fitParams[0] = first_guess
1038	fitParams[1] = seglength
1039
1040	If (cmpstr(modelName,"B")==0)
1041	iabs = BStandardFunction(fitParams,xlow)
1042	fitParams[0] = yhigh/iabs
1043	// Print fitParams[0],fitParams[1]
1044	FuncFit BStandardFunction fitParams yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /D
1045	iarb = BStandardFunction(fitParams, 0.0)
1046	iabs = iarb/fitParams[0]
1047	thick = 0.153
1048	endif
1049	If (cmpstr(modelName,"C")==0)
1050	iabs = CStandardFunction(fitParams,xlow)
1051	fitParams[0] = yhigh/iabs
1052	FuncFit CStandardFunction fitParams yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /D
1053	iarb = CStandardFunction(fitParams, 0.0)
1054	iabs = iarb/fitParams[0]
1055	thick= 0.153
1056	endif
1057	If (cmpstr(modelName,"AS")==0)
1058	iabs = ASStandardFunction(fitParams,xlow)
1059	fitParams[0] = yhigh/iabs
1060	FuncFit ASStandardFunction fitParams yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /D
1061	iarb = ASStandardFunction(fitParams, 0.0)
1062	iabs = iarb/fitParams[0]
1063	thick = 0.1
1064	endif
1065	ModifyGraph rgb(fit_yAxisWave)=(0,0,0)
1066	Label left ylabel
1067	Label bottom xlabel //E denotes "scaling" - may want to use "units" instead
1068
1069	ControlInfo/W=FitRPAPanel lambda
1070
1071	Variable cor_mult = 1.0 + 2.2e-4*V_Value^2
1072
1073	//WAVE W_coef=W_coef
1074	//WAVE W_sigma=W_sigma
1075	String textstr_1,textstr_2,textstr_3 = ""
1076	textstr_1 = "Scaling Parameter: "+num2str(fitParams[0])+" ± "+num2str(W_sigma[0])
1077	textstr_1 += "\rSegment Length: "+num2str(fitParams[1])+" ± "+num2str(W_sigma[1])
1078	textstr_1 += "\rChi-Squared = " + num2str(V_chisq/(V_npnts - 3))
1079
1080	textstr_2 = "Cross section at q=0: Iabs(0) = "+num2str(iabs)+"cm\S-1\M"
1081	textstr_2 += "\rData extrapolated to q=0: Im(0) = "+num2str(iarb)+" Counts/(10\S8\M Mon cts)"
1082	textstr_2 += "\rData corrected for multiple scattering: I(0) = "+num2str(iarb/cor_mult)+" Counts/(10\S8\M Mon cnts)"
1083
1084	textstr_3 = "In the ABS protocol, "
1085	textstr_3 += "\rStandard Thickness, d = "+num2str(thick)+"cm"
1086	textstr_3 += "\rI(0), Iarb(0) = "+num2str(iarb/cor_mult)+"Counts/(10\S8\M Mon cts)"
1087	textstr_3 += "\rStandard Cross Section, Iabs(0) = "+num2str(iabs)+"cm\S-1\M"
1088	TextBox/K/N=text_1
1089	TextBox/K/N=text_2
1090	TextBox/K/N=text_3
1091	TextBox/N=text_2/A=RT textstr_2
1092	TextBox/N=text_3/A=RC textstr_3
1093	TextBox/N=text_1/A=RB textstr_1
1094
1095	End
1096
1097	//loads the file selected in the popup for fitting with POL
1098	//standard functions. Reads the wavelength from the header, using
1099	//6 A as the default
1100	//plots the data in FitWindow after reading the file
1101	//updates lambda and full q-range on the Panel
1102	//
1103	Proc FITRPA_Load_Proc(ctrlName): ButtonControl
1104	String ctrlName
1105	//Load the data
1106	String tempName="",partialName=""
1107	Variable err
1108	ControlInfo $"filePopup"
1109	//find the file from the partial filename
1110	If( (cmpstr(S_value,"")==0) \|\| (cmpstr(S_value,"none")==0) )
1111	//null selection, or "none" from any popup
1112	Abort "no file selected in popup menu"
1113	else
1114	//selection not null
1115	partialName = S_value
1116	//Print partialName
1117	Endif
1118	//get a valid file based on this partialName and catPathName
1119	tempName = FindValidFilename(partialName)
1120
1121	Variable lambdaFromFile=GetLambdaFromReducedData(tempName)
1122	Variable/G root:myGlobals:FITRPA:gLambda = lambdaFromFile
1123	Print "Lambda in file read as:", lambdaFromFile
1124
1125	//prepend path to tempName for read routine
1126	PathInfo catPathName
1127	tempName = S_path + tempName
1128
1129	//load in the data (into the root directory)
1130	LoadOneDDataWithName(tempName,0)
1131	//Print S_fileName
1132	//Print tempName
1133
1134	String cleanLastFileName = CleanupName(root:Packages:NIST:gLastFileName,0)
1135	String tmpStr = "root:"+cleanLastFileName+":"+cleanLastFileName
1136
1137	Duplicate/o $(tmpStr+"_q") xAxisWave
1138	Duplicate/o $(tmpStr+"_i") yAxisWave
1139	Duplicate/o $(tmpStr+"_s") yErrWave
1140
1141	Variable xmin, xmax
1142	WaveStats/Q xAxisWave
1143	root:myGlobals:FITRPA:gLolim=V_min
1144	root:myGlobals:FITRPA:gUplim=V_max
1145	ControlUpdate/W=FITRPAPanel/A
1146
1147	//Check to see if the FitWindow exists
1148	//Plot the data in a FitWindow
1149	If(WinType("FitWindow") == 0)
1150	Display /W=(5,42,480,400)/K=1 yAxisWave vs xAxisWave
1151	ModifyGraph mode=3,standoff=0,marker=8
1152	ErrorBars/T=0 yAxisWave Y,wave=(yErrWave,yErrWave)
1153	TextBox/C/N=textLabel/A=RB "File = "+cleanLastFileName
1154	DoWindow/C FitWindow
1155	ShowInfo
1156	else
1157	//window already exists, just bring to front for update
1158	DoWindow/F FitWindow
1159	TextBox/C/N=textLabel/A=RB "File = "+cleanLastFileName
1160	endif
1161	// remove old text boxes
1162	TextBox/K/N=text_1
1163	TextBox/K/N=text_2
1164	TextBox/K/N=text_3
1165	RemoveFromGraph/W=fitWindow /Z fit_yAxisWave
1166	SetAxis/A
1167
1168	//put cursors on the graph at first and last points
1169	Cursor/P A yAxisWave 0
1170	Cursor/P B yAxisWave (numpnts(yAxisWave) - 1)
1171	End
1172
1173	//Fitting function for the POL-B standards
1174	//
1175	Function BStandardFunction(parameterWave, x)
1176	Wave parameterWave; Variable x
1177
1178	//Model parameters
1179	Variable KN=4.114E-3,CH=9.613E4, CD=7.558E4, NH=1872, ND=1556
1180	Variable INC=0.32, CHIV=2.2E-6
1181	//Correction based on absolute flux measured 5/93
1182	Variable CORR = 1.1445
1183
1184	//Local variables
1185	Variable AP2,QRGH,QRGD,IABS_RPA,IABS
1186
1187	//Calculate the function here
1188	ap2=parameterWave[1]^2
1189	qrgh = xsqrt(nhap2/6)
1190	qrgd = xsqrt(ndap2/6)
1191	iabs_rpa = kn/(1/(chFIT_dbf(qrgh)) + 1/(cdFIT_dbf(qrgd)) - chiv)
1192	iabs = corr*iabs_rpa + inc
1193
1194	//return the result
1195	return parameterWave[0]*iabs
1196
1197	End
1198
1199	//Fitting function for the POL-C standards
1200	//
1201	Function CStandardFunction(parameterWave, x)
1202	Wave parameterWave; Variable x
1203
1204	//Model parameters
1205	Variable KN=4.114E-3,CH=2.564E5, CD=1.912E5, NH=4993, ND=3937
1206	Variable INC=0.32, CHIV=2.2E-6
1207	//Correction based on absolute flux measured 5/93
1208	Variable CORR = 1.0944
1209
1210	//Local variables
1211	Variable AP2,QRGH,QRGD,IABS_RPA,IABS
1212
1213	//Calculate the function here
1214	ap2=parameterWave[1]^2
1215	qrgh = xsqrt(nhap2/6)
1216	qrgd = xsqrt(ndap2/6)
1217	iabs_rpa = kn/(1/(chFIT_dbf(qrgh)) + 1/(cdFIT_dbf(qrgd)) - chiv)
1218	iabs = corr*iabs_rpa + inc
1219
1220	//return the result
1221	return parameterWave[0]*iabs
1222
1223	End
1224
1225	//fitting function for the POL-AS standards
1226	//
1227	Function ASStandardFunction(parameterWave, x)
1228	Wave parameterWave; Variable x
1229
1230	//Model parameters
1231	Variable KN=64.5,CH=1.0, CD=1.0, NH=766, ND=766
1232	Variable INC=0.32, CHIV=0.0
1233
1234	//Local variables
1235	Variable AP2,QRGH,QRGD,IABS_RPA,IABS
1236
1237	//Calculate the function here
1238	ap2=parameterWave[1]^2
1239	qrgh = xsqrt(nhap2/6)
1240
1241	//The following lines were commented out in the fortran function
1242	//qrgd = xsqrt(ndap2/6)
1243	//iabs_rpa = kn/(1/(chFIT_dbf(qrgh)) + 1/(cdFIT_dbf(qrgd)) - chiv)
1244
1245	iabs_rpa = kn*FIT_dbf(qrgh)
1246	iabs = iabs_rpa + inc
1247
1248	//return the result
1249	return parameterWave[0]*iabs
1250
1251	End
1252
1253	//Debye Function used for polymer standards
1254	Function FIT_dbf(rgq)
1255	Variable rgq
1256	Variable x
1257
1258	x=rgq*rgq
1259	if (x < 5.0E-3)
1260	return 1.0 - x/3 + x^2/12
1261	else
1262	return 2*(exp(-x) + x - 1)/x^2
1263	endif
1264	End
1265
1266
1267	//////////////////////////////// EMD FIT RPA //////////////////////////////////////
1268
1269
1270
1271
1272
1273
1274
1275
1276	//procedures to clean up after itself
1277	//
1278	// -- note that it's never going to unload if the SANS Reduction is open too - since
1279	// the old FIT_Ops was always loaded, and now points to this file.
1280	//
1281	Function UnloadLinFit()
1282
1283	if (WinType("FitPanel") == 7)
1284	DoWindow/K FitPanel
1285	endif
1286	if (WinType("FitWindow") != 0)
1287	DoWindow/K $"FitWindow"
1288	endif
1289	SetDataFolder root:
1290	Killwaves/Z xAxisWave,yAxisWave,yErrWave,residWave,yWtWave,fit_yAxisWave
1291
1292	SVAR/Z fileVerExt=root:Packages:NIST:SANS_ANA_EXTENSION
1293	if(SVAR_Exists(fileVerExt) == 0)
1294	return 0
1295	endif
1296
1297	String fname="LinearizedFits"
1298	Execute/P "DELETEINCLUDE \""+fname+fileVerExt+"\""
1299	Execute/P "COMPILEPROCEDURES "
1300	end
1301
1302	#if(exists("root:Packages:NIST:SANS_ANA_EXTENSION") != 0)
1303	//this keeps the SANS Models menu from appearing in the SANS Reduction package
1304	Menu "SANS Models"
1305	Submenu "Packages"
1306	"Unload Linear Fitting", UnloadLinFit()
1307	End
1308	end
1309
1310	#endif
1311
1312	Function FIT_PickPathButtonProc(ctrlName) : ButtonControl
1313	String ctrlName
1314
1315	A_PickPath()
1316	//pop the file menu
1317	FIT_FilePopMenuProc("",1,"")
1318	End

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