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LinearizedFits_v40.ipf @ 888

Last change on this file since 888 was 888, checked in by srkline, 10 years ago

Changes to utility functions to properly list the raw data from the 10m SANS (SA4)

Added a utility function to patch BS xPos in 10m data files so that they will be recognized as transmission files. ICE is currently not writing out the BS xPos to the file. This is done in batch mode, similar to what was done for the 8m SANS.

Some changes to the simulation code to permit easier scripting.

Additions to SASCALC for the 10m SANS. Dimensions from John. Still need attenuator table and flux.

File size: 41.6 KB

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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=25
527	if(strlen(partialName) > maxLength)
528	// get user input, from a list of all of the data folder names
529	String dfList = sortList(GetAList(4))
530	String dataFolder=""
531	Prompt dataFolder,"Data files to choose from...",popup,dfList
532
533	DoPrompt "Select data set",dataFolder
534	if(V_Flag==1) //user canceled
535	SetDataFolder root:
536	return(1)
537	endif
538	partialName = dataFolder
539	endif
540	Rescale_Data("root:"+partialName+":")
541
542	// now go do the fit
543
544	// get the current low and high q values for fitting
545	Variable low,high
546
547	ControlInfo/W=FitPanel lolim
548	low = V_value
549	ControlInfo/W=FitPanel uplim
550	high = V_value
551	if ((high<low) \|\| (high==low))
552	DoAlert 0,"Unphysical fitting limits - re-enter better values"
553	Abort
554	endif
555
556	//try including residuals on the graph /R=residWave, explicitly place on new axis
557	//if only /R used, residuals are automatically placed on graph
558	// -- NOTE that Rescale_Data() calculates the weighting wave as 1/err (like the old days) so the flag is correctly
559	// /I=0, not /I=1
560
561	CurveFit line yAxisWave(xcsr(A),xcsr(B)) /I=0 /X=xAxisWave /W=yWtWave /D
562	//CurveFit line yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /R /D
563	ModifyGraph rgb(fit_yAxisWave)=(0,0,0)
564	// annotate graph, filtering out special cases of Guinier fits
565	// Text Boxes must be used, since ControlBars on graphs DON'T print out
566
567	// need access to Global wave, result of fit
568	//ystr and xstr are the axis strings - filter with a do-loop
569	String ystr="",xstr=""
570	//ControlInfo/W=FitPanel ywave
571	Wave xw = $("root:"+partialName+":"+partialName + "_q")
572	ControlInfo/W=FitPanel yModel
573	ystr = S_Value
574	ControlInfo/W=FitPanel xModel
575	xstr = S_Value
576
577	WAVE W_coef=W_coef
578	WAVE W_sigma=W_sigma
579	String textstr_1,textstr_2,textstr_3 = ""
580	Variable rg,rgerr,minfit,maxfit,izerr
581
582	textstr_1 = "Slope = " + num2str(W_coef[1]) + " ± " + num2str(W_sigma[1])
583	textstr_1 += "\rIntercept = " + num2str(W_coef[0]) + " ± " + num2str(W_sigma[0])
584	textstr_1 += "\rChi-Squared = " + num2str(V_chisq/(V_npnts - 3))
585
586	minfit = xw[xcsr(A)]
587	maxfit = xw[xcsr(B)]
588	textstr_2 = "Qmin = " + num2str(minfit)
589	textstr_2 += "\rQmax = " + num2str(maxfit)
590
591	//model-specific calculations - I(0), Rg, etc.
592	//put these in textstr_3, at bottom
593	do
594	If (cmpstr("I",ystr) == 0)
595	textstr_3 = "I(q=0) = " + num2str(W_coef[0]) +" ± "+num2str(W_sigma[0])
596	break
597	endif
598	If (cmpstr("ln(I)",ystr) == 0)
599	izerr = abs(exp(W_coef[0]) - exp(W_coef[0]+W_sigma[0]))
600	textstr_3 = "I(q=0) = " + num2str(exp(W_coef[0]))+" ± " + num2str(izerr)
601	if(cmpstr("q^2",xstr) == 0) //then a Guinier plot for a sphere (3-d)
602	rg = sqrt(-3*W_coef[1])
603	rgerr = 3W_sigma[1]/(2rg)
604	textstr_3 += "\rRg (A) = " + num2str(rg) + " ± " + num2str(rgerr)
605	textstr_3 += "\r" + num2str(rgminfit) + " < Rgq < " + num2str(rg*maxfit)
606	break
607	endif
608	break
609	endif
610	If (cmpstr("log(I)",ystr) == 0)
611	if(cmpstr("log(q)",xstr) !=0 ) //extrapolation is nonsense
612	textstr_3 = "I(q=0) = " + num2str(10^(W_coef[0]))
613	endif
614	break
615	endif
616	If (cmpstr("1/I",ystr) == 0)
617	izerr = abs(1/W_coef[0] - 1/(W_coef[0]+W_sigma[0]))
618	textstr_3 = "I(q=0) = " + num2str(1/W_coef[0])+" ± " + num2str(izerr)
619	break
620	endif
621	If (cmpstr("I^a",ystr) == 0)
622	//nothing
623	break
624	endif
625	If (cmpstr("Iq^a",ystr) == 0)
626	//nothing
627	break
628	endif
629	If (cmpstr("I^a q^b",ystr) == 0)
630	//nothing
631	break
632	endif
633	If (cmpstr("1/sqrt(I)",ystr) == 0)
634	izerr = abs( (W_coef[0])^-2 - (W_coef[0]+W_sigma[0])^-2 )
635	textstr_3 = "I(q=0) = " + num2str((W_coef[0])^-2)+" ± " + num2str(izerr)
636	break
637	endif
638	If (cmpstr("ln(Iq)",ystr) == 0)
639	//nothing
640	if(cmpstr("q^2",xstr) == 0) //then a x-sect Guinier plot for a rod (2-d)
641	// rg now is NOT the radius of gyration, but the x-sect DIAMETER
642	rg = 4*sqrt(-W_coef[1])
643	rgerr = 8*W_sigma[1]/rg
644	textstr_3 = "Rod diameter (A) = " + num2str(rg) + " ± " + num2str(rgerr)
645	textstr_3 += "\r" + num2str(rgminfit) + " < Rgq < " + num2str(rg*maxfit)
646	break
647	endif
648	break
649	endif
650	If (cmpstr("ln(Iq^2)",ystr) == 0)
651	//nothing
652	if(cmpstr("q^2",xstr) == 0) //then a 1-d Guinier plot for a sheet
653	// rg now is NOT the radius of gyration, but the thickness
654	rg = sqrt(-12*W_coef[1])
655	rgerr = 6W_sigma[1]/(2rg)
656	textstr_3 = "Platelet thickness (A) = " + num2str(rg) + " ± " + num2str(rgerr)
657	textstr_3 += "\r" + num2str(rgminfit) + " < Rgq < " + num2str(rg*maxfit)
658	break
659	endif
660	break
661	endif
662
663	while(0)
664	//kill the old textboxes, if they exist
665	TextBox/W=FitWindow/K/N=text_1
666	TextBox/W=FitWindow/K/N=text_2
667	TextBox/W=FitWindow/K/N=text_3
668	// write the new text boxes
669	TextBox/W=FitWindow/N=text_1/A=LT textstr_1
670	TextBox/W=FitWindow/N=text_2/A=LC textstr_2
671	If (cmpstr("",textstr_3) != 0) //only display textstr_3 if it isn't null
672	TextBox/W=FitWindow/N=text_3/A=LB textstr_3
673	endif
674
675	//adjust the plot range to reflect the actual fitted range
676	//cursors are already on the graph, done by Rescale_Data()
677	AdjustAxisToCursors()
678
679	End
680
681	// adjusts both the x-axis scaling and y-axis scaling to the cursor range
682	// **cursors are already on the graph, done by Rescale_Data()
683	//
684	// will expand the scale to show an extra 5 points in each direction (if available)
685	Function AdjustAxisToCursors()
686
687	DoWindow/F FitWindow
688	WAVE xAxisWave = root:xAxisWave
689	WAVE yAxisWave = root:yAxisWave
690	Variable xlow,xhigh,ylow,yhigh,yptlow,ypthigh
691	Variable extraPts = 5, num=numpnts(xAxisWave)
692
693	String csrA = CsrInfo(A ,"FitWindow")
694	String csrB = CsrInfo(B ,"FitWindow")
695
696	//x-levels, these are monotonic
697	Variable ptLow,ptHigh,tmp
698	ptLow = NumberByKey("POINT", csrA ,":" ,";")
699	ptHigh = NumberByKey("POINT", csrB ,":" ,";")
700	if(ptLow > ptHigh)
701	tmp= ptLow
702	ptLow=ptHigh
703	ptHigh=tmp
704	endif
705
706	// keep extended point range in bounds
707	ptLow = (ptLow-extraPts) >= 0 ? ptLow-extraPts : 0
708	ptHigh = (ptHigh+extraPts) <= (num-1) ? ptHigh + extraPts : num-1
709
710	xlow = xAxisWave[ptLow]
711	xhigh = xAxisWave[ptHigh]
712	//old way
713	// xlow = xAxisWave[xcsr(A)]
714	// xhigh = xAxisWave[xcsr(B)]
715	// if(xlow > xhigh)
716	// xhigh = xlow
717	// xlow = xAxisWave[xcsr(B)]
718	// endif
719
720	//y-levels (old way)
721	// FindLevel/P/Q xAxisWave, xlow
722	// if(V_flag == 1) //level NOT found
723	// DoAlert 0,"Lower q-limit not in experimental q-range. Re-enter a better value"
724	// endif
725	// yptlow = V_LevelX
726	// FindLevel/P/Q xAxisWave, xhigh
727	// if(V_flag == 1)
728	// DoAlert 0,"Upper q-limit not in experimental q-range. Re-enter a better value"
729	// endif
730	// ypthigh = V_LevelX
731
732	// Print xlow,xhigh,yptlow,ypthigh
733	// Print yAxisWave[yptlow],yAxisWave[ypthigh]
734
735
736	// make sure ylow/high are in the correct order, since the slope could be + or -
737	yhigh = max(yAxisWave[ptlow],yAxisWave[pthigh])
738	ylow = min(yAxisWave[ptlow],yAxisWave[pthigh])
739
740	// Print ptLow,ptHigh
741	// print xlow,xhigh
742	// print ylow,yhigh
743
744	SetAxis bottom,xlow,xhigh
745	SetAxis left ylow,yhigh
746
747	End
748
749	///// procedures added from other SANS Reduction files
750	//
751	//
752
753	//function called by the popups to get a file list of data that can be sorted
754	// this procedure simply removes the raw data files from the string - there
755	//can be lots of other junk present, but this is very fast...
756	//
757	// could also use the alternate procedure of keeping only file with the proper extension
758	//
759	// another possibility is to get a listing of the text files, but is unreliable on
760	// Windows, where the data file must be .txt (and possibly OSX)
761	//
762	Function/S filterButtonProc(ctrlName)
763	String ctrlName
764
765	String newList=""
766	// String list="",newList="",item=""
767	// Variable num,ii
768	//
769	// //check for the path
770	// PathInfo catPathName
771	// if(V_Flag==0)
772	// DoAlert 0, "Data path does not exist - pick the data path from the button on the FIT panel"
773	// Return("")
774	// Endif
775	//
776	// list = IndexedFile(catpathName,-1,"????")
777	// num=ItemsInList(list,";")
778	// //print "num = ",num
779	// for(ii=(num-1);ii>=0;ii-=1)
780	// item = StringFromList(ii, list ,";")
781	// //simply remove all that are not raw data files (SA1 SA2 SA3)
782	// if( !stringmatch(item,".SA1") && !stringmatch(item,".SA2") && !stringmatch(item,".SA3") )
783	// if( !stringmatch(item,".") && !stringmatch(item,".pxp") && !stringmatch(item,"*.DIV")) //eliminate mac "hidden" files, pxp, and div files
784	// newlist += item + ";"
785	// endif
786	// endif
787	// endfor
788	// //remove VAX version numbers
789	// newList = RemoveVersNumsFromList(newList)
790	// //sort
791	// newList = SortList(newList,";",0)
792
793	// Jan 2013 -- replaced with a utility function that filters out raw, div, mask, etc.
794	newList = A_ReducedDataFileList("")
795
796	return newlist
797	End
798
799
800
801	//////////////////////////////////////// FIT RPA ///////////////////////////////////////////
802	//****************************************
803	//procedures for creating and initializing the FITRPA panel
804	//global variables (numerical only) are kept in root:myGlobals:FITRPA folder,
805	//created as needed
806	//
807	// very similar in function to the FIT panel
808	//
809	Proc OpenFitRPAPanel()
810	If(WinType("FitRPAPanel") == 0)
811	//create the necessary data folder
812	NewDataFolder/O root:myGlobals:FITRPA
813	//initialize the values
814	Variable/G root:myGlobals:FITRPA:gLolim = 0.02
815	Variable/G root:myGlobals:FITRPA:gUplim = 0.04
816	Variable/G root:myGlobals:FITRPA:gBack = 0
817	Variable/G root:myGlobals:FITRPA:gLambda = 6.0
818	PathInfo/S catPathName
819	String localpath = S_path
820	if (V_flag == 0)
821	//path does not exist - no folder selected
822	String/G root:myGlobals:FITRPA:gPathStr = "no folder selected"
823	else
824	String/G root:myGlobals:FITRPA:gPathStr = localpath
825	endif
826	String/G root:myGlobals:FITRPA:gDataPopList = "none"
827	FitRPAPanel()
828	else
829	//window already exists, just bring to front for update
830	DoWindow/F FitRPAPanel
831	endif
832	//pop the menu
833	FilePopMenuProc("",1,"")
834	End
835
836	//used on the fit/rpa panel to select the path for the data
837	// - automatically pops the file list after the new path selection
838	Function FITRPAPickPathButton(ctrlName) : ButtonControl
839	String ctrlName
840
841	Variable err = A_PickPath() //sets global path value
842	SVAR pathStr = root:myGlobals:gCatPathStr
843
844	//set the global string for NSORT to the selected pathname
845	String/G root:myGlobals:FITRPA:gPathStr = pathStr
846
847	//call the popup menu proc's to re-set the menu choices
848	FilePopMenuProc("filePopup",1,"")
849
850	End
851
852	//gets a valid file list (simply not the files with ".SAn" in the name)
853	//
854	Function FilePopMenuProc(ctrlName,popNum,popStr) : PopupMenuControl
855	String ctrlName
856	Variable popNum
857	String popStr
858
859	String tempStr=ReducedDataFileList(ctrlName)
860	if(strlen(tempStr)==0)
861	tempStr = "Pick the data path"
862	Endif
863	String/G root:myGlobals:FITRPA:gDataPopList = tempStr //function is in NSORT.ipf
864	ControlUpdate filePopup
865
866	End
867
868
869
870	// window recreation macro to draw the fit/rpa panel
871	//globals and data folders must be present before drawing panel
872	//
873	Window FitRPAPanel()
874
875	String angst = root:Packages:NIST:gAngstStr
876	PauseUpdate; Silent 1 // building window...
877	NewPanel /W=(250,266,591,579)/K=1
878	ModifyPanel cbRGB=(32768,54528,65280)
879	ModifyPanel fixedSize=1
880	SetDrawLayer UserBack
881	SetDrawEnv fstyle= 1
882	DrawText 81,19,"Select Experimental Data"
883	SetDrawEnv fstyle= 1
884	DrawText 97,102,"q-range to fit ("+angst+"^-1)"
885	SetDrawEnv fstyle= 1
886	DrawText 87,239,"Select the fit parameters"
887	SetDrawEnv fillpat= 0
888	DrawRect 1,103,338,224
889	SetDrawEnv fillpat= 0
890	DrawRect 1,20,337,83
891	SetDrawEnv fillpat= 0
892	DrawRect 2,241,337,275
893	// Button PathButton,pos={6,26},size={80,20},proc=FitRPAPickPathButton,title="Pick Path"
894	// Button PathButton,help={"Select the local path to the folder containing your SANS data"}
895	// SetVariable setPath,pos={95,29},size={240,17},title="Path:"
896	// SetVariable setPath,help={"The current path to the local folder with SANS data"}
897	// SetVariable setPath,fSize=10
898	// SetVariable setPath,limits={0,0,0},value= root:myGlobals:FITRPA:gPathStr
899	PopupMenu filePopup,pos={8,30},size={96,21},proc=FilePopMenuProc,title="Files"
900	PopupMenu filePopup,help={"Select the data file to load."}
901	PopupMenu filePopup,mode=5,popvalue="none",value= #"root:myGlobals:FITRPA:gDataPopList"
902	SetVariable lambda,pos={111,250},size={120,18},title="Lambda ("+angst+")"
903	SetVariable lambda,help={"This sets the wavelength for the multiple scattering corrections."}
904	SetVariable lambda,limits={0,10,0},value= root:myGlobals:FITRPA:gLambda
905	Button GoFit,pos={60,286},size={80,20},proc=DoFITRPA,title="Do the Fit"
906	Button GoFit,help={"This button will do the specified fit using the selections in this panel"}
907	SetVariable lolim,pos={82,113},size={134,28},title="Lower Limit"
908	SetVariable lolim,help={"Enter the lower q-limit to perform the fit ("+angst+"^-1)"}
909	SetVariable lolim,limits={0,5,0},value= root:myGlobals:FITRPA:gLolim
910	SetVariable uplim,pos={80,140},size={134,28},title="Upper Limit"
911	SetVariable uplim,help={"Enter the upper q-limit to perform the fit ("+angst+"^-1)"}
912	SetVariable uplim,limits={0,5,0},value= root:myGlobals:FITRPA:gUplim
913	CheckBox RPA_check0,pos={64,198},size={190,20},title="Use cursor range from FitWindow"
914	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
915	PopupMenu model,pos={3,249},size={101,21},title="Standard"
916	PopupMenu model,help={"This popup selects which standard should be used to fit this data"}
917	PopupMenu model,mode=1,popvalue="B",value= #"\"B;C;AS\""
918	Button sh_all,pos={82,168},size={130,20},proc=ShowAllButtonProc,title="Show Full q-range"
919	Button sh_all,help={"Use this to show the entire q-range of the data rather than just the fitted range."}
920	Button loadButton,pos={20,55},size={70,20},proc=FITRPA_Load_Proc,title="Load File"
921	Button loadButton,help={"After choosing a file, load it into memory and plot it with this button."}
922	Button helpButton,pos={270,55},size={25,20},proc=showFITHelp,title="?"
923	Button helpButton,help={"Show help file for RPA fitting"}
924	Button DoneButton,pos={200,286},size={50,20},proc=FITRPADoneButton,title="Done"
925	Button DoneButton,help={"This button will close the panel and the associated graph"}
926	EndMacro
927
928
929	Proc FITRPADoneButton(ctrlName) : ButtonControl
930	String ctrlName
931	DoWindow/K FitWindow
932	DoWindow/K FitRPAPanel
933	end
934
935	//dispatches the fit to the appropriate model
936	//and the appropriate range, based on selections in the panel
937	//
938	Proc DoFITRPA(ctrlName) : ButtonControl
939	String ctrlName
940	//
941	String cleanLastFileName = CleanupName(root:Packages:NIST:gLastFileName,0)
942	String tmpStr = "root:"+cleanLastFileName+":"+cleanLastFileName
943
944	Duplicate/O $(tmpStr+"_q") xAxisWave
945	Duplicate/O $(tmpStr+"_i") yAxisWave
946	Duplicate/O $(tmpStr+"_s") yErrWave,yWtWave,residWave
947
948	yWtWave = 1/yErrWave
949
950	String xlabel = "q (A^-1)"
951	String ylabel = "Intensity"
952	//Check to see if the FitWindow exists
953	//Plot the data in a FitWindow
954	If(WinType("FitWindow") == 0)
955	Display /W=(5,42,480,400)/K=1 yAxisWave vs xAxisWave
956	ModifyGraph mode=3,standoff=0,marker=8
957	ErrorBars/T=0 yAxisWave Y,wave=(yErrWave,yErrWave)
958	DoWindow/C FitWindow
959	ShowInfo
960	else
961	//window already exists, just bring to front for update
962	DoWindow/F FitWindow
963	// remove old text boxes
964	TextBox/K/N=text_1
965	TextBox/K/N=text_2
966	TextBox/K/N=text_3
967	endif
968
969	//see if the user wants to use the data specified by the cursors - else use numerical values
970	Variable xlow,xhigh,ylow,yhigh,yes_cursors
971	ControlInfo/W=FitRPAPanel RPA_check0 //V_value = 1 if it is checked, meaning yes, use cursors
972	yes_cursors = V_value
973
974	ControlInfo/W=FitRPAPanel lolim
975	xlow = V_value
976	ControlInfo/W=FitRPAPanel uplim
977	xhigh = V_value
978	if(yes_cursors)
979	xlow = xAxisWave[xcsr(A)]
980	xhigh = xAxisWave[xcsr(B)]
981	if(xlow > xhigh)
982	xhigh = xlow
983	xlow = xAxisWave[xcsr(B)]
984	endif
985	// Print "xlow,xhigh = ",xlow,xhigh
986	ylow = yAxisWave[xcsr(A)]
987	yhigh = yAxisWave[xcsr(B)]
988	if(ylow > yhigh)
989	ylow=yhigh
990	yhigh = yAxisWave[xcsr(A)]
991	endif
992	else
993	FindLevel/P/Q xAxisWave, xlow
994	if(V_flag == 1) //level NOT found
995	DoAlert 0,"Lower q-limit not in experimental q-range. Re-enter a better value"
996	DoWindow/K FitWindow
997	Abort
998	endif
999	Cursor/P A, yAxisWave,trunc(V_LevelX)+1
1000	ylow = yAxisWave[V_LevelX]
1001	FindLevel/P/Q xAxisWave, xhigh
1002	if(V_flag == 1)
1003	DoAlert 0,"Upper q-limit not in experimental q-range. Re-enter a better value"
1004	DoWindow/K FitWindow
1005	Abort
1006	endif
1007	Cursor/P B, yAxisWave,trunc(V_LevelX)
1008	yhigh = yAxisWave[V_LevelX]
1009	if(ylow > yhigh)
1010	yhigh=ylow
1011	ylow = yAxisWave[V_levelX]
1012	endif
1013	endif //if(V_value)
1014	SetAxis bottom,xlow,xhigh
1015
1016	// print "ylow,yhigh",ylow,yhigh
1017
1018	//Get the rest of the data from the panel
1019	//such as which standard, the wavelength
1020	ControlInfo/W=FitRPAPanel model
1021
1022	//find the model name
1023	String modelName = S_value
1024
1025	Variable first_guess, seglength,iabs,iarb,thick
1026	Make/D/O/N=2 fitParams
1027
1028	seglength = 6.8
1029
1030	first_guess = 1.0
1031	fitParams[0] = first_guess
1032	fitParams[1] = seglength
1033
1034	If (cmpstr(modelName,"B")==0)
1035	iabs = BStandardFunction(fitParams,xlow)
1036	fitParams[0] = yhigh/iabs
1037	// Print fitParams[0],fitParams[1]
1038	FuncFit BStandardFunction fitParams yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /D
1039	iarb = BStandardFunction(fitParams, 0.0)
1040	iabs = iarb/fitParams[0]
1041	thick = 0.153
1042	endif
1043	If (cmpstr(modelName,"C")==0)
1044	iabs = CStandardFunction(fitParams,xlow)
1045	fitParams[0] = yhigh/iabs
1046	FuncFit CStandardFunction fitParams yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /D
1047	iarb = CStandardFunction(fitParams, 0.0)
1048	iabs = iarb/fitParams[0]
1049	thick= 0.153
1050	endif
1051	If (cmpstr(modelName,"AS")==0)
1052	iabs = ASStandardFunction(fitParams,xlow)
1053	fitParams[0] = yhigh/iabs
1054	FuncFit ASStandardFunction fitParams yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /D
1055	iarb = ASStandardFunction(fitParams, 0.0)
1056	iabs = iarb/fitParams[0]
1057	thick = 0.1
1058	endif
1059	ModifyGraph rgb(fit_yAxisWave)=(0,0,0)
1060	Label left ylabel
1061	Label bottom xlabel //E denotes "scaling" - may want to use "units" instead
1062
1063	ControlInfo/W=FitRPAPanel lambda
1064
1065	Variable cor_mult = 1.0 + 2.2e-4*V_Value^2
1066
1067	//WAVE W_coef=W_coef
1068	//WAVE W_sigma=W_sigma
1069	String textstr_1,textstr_2,textstr_3 = ""
1070	textstr_1 = "Scaling Parameter: "+num2str(fitParams[0])+" ± "+num2str(W_sigma[0])
1071	textstr_1 += "\rSegment Length: "+num2str(fitParams[1])+" ± "+num2str(W_sigma[1])
1072	textstr_1 += "\rChi-Squared = " + num2str(V_chisq/(V_npnts - 3))
1073
1074	textstr_2 = "Cross section at q=0: Iabs(0) = "+num2str(iabs)+"cm\S-1\M"
1075	textstr_2 += "\rData extrapolated to q=0: Im(0) = "+num2str(iarb)+" Counts/(10\S8\M Mon cts)"
1076	textstr_2 += "\rData corrected for multiple scattering: I(0) = "+num2str(iarb/cor_mult)+" Counts/(10\S8\M Mon cnts)"
1077
1078	textstr_3 = "In the ABS protocol, "
1079	textstr_3 += "\rStandard Thickness, d = "+num2str(thick)+"cm"
1080	textstr_3 += "\rI(0), Iarb(0) = "+num2str(iarb/cor_mult)+"Counts/(10\S8\M Mon cts)"
1081	textstr_3 += "\rStandard Cross Section, Iabs(0) = "+num2str(iabs)+"cm\S-1\M"
1082	TextBox/K/N=text_1
1083	TextBox/K/N=text_2
1084	TextBox/K/N=text_3
1085	TextBox/N=text_2/A=RT textstr_2
1086	TextBox/N=text_3/A=RC textstr_3
1087	TextBox/N=text_1/A=RB textstr_1
1088
1089	End
1090
1091	//loads the file selected in the popup for fitting with POL
1092	//standard functions. Reads the wavelength from the header, using
1093	//6 A as the default
1094	//plots the data in FitWindow after reading the file
1095	//updates lambda and full q-range on the Panel
1096	//
1097	Proc FITRPA_Load_Proc(ctrlName): ButtonControl
1098	String ctrlName
1099	//Load the data
1100	String tempName="",partialName=""
1101	Variable err
1102	ControlInfo $"filePopup"
1103	//find the file from the partial filename
1104	If( (cmpstr(S_value,"")==0) \|\| (cmpstr(S_value,"none")==0) )
1105	//null selection, or "none" from any popup
1106	Abort "no file selected in popup menu"
1107	else
1108	//selection not null
1109	partialName = S_value
1110	//Print partialName
1111	Endif
1112	//get a valid file based on this partialName and catPathName
1113	tempName = FindValidFilename(partialName)
1114
1115	Variable lambdaFromFile=GetLambdaFromReducedData(tempName)
1116	Variable/G root:myGlobals:FITRPA:gLambda = lambdaFromFile
1117	Print "Lambda in file read as:", lambdaFromFile
1118
1119	//prepend path to tempName for read routine
1120	PathInfo catPathName
1121	tempName = S_path + tempName
1122
1123	//load in the data (into the root directory)
1124	LoadOneDDataWithName(tempName,0)
1125	//Print S_fileName
1126	//Print tempName
1127
1128	String cleanLastFileName = CleanupName(root:Packages:NIST:gLastFileName,0)
1129	String tmpStr = "root:"+cleanLastFileName+":"+cleanLastFileName
1130
1131	Duplicate/o $(tmpStr+"_q") xAxisWave
1132	Duplicate/o $(tmpStr+"_i") yAxisWave
1133	Duplicate/o $(tmpStr+"_s") yErrWave
1134
1135	Variable xmin, xmax
1136	WaveStats/Q xAxisWave
1137	root:myGlobals:FITRPA:gLolim=V_min
1138	root:myGlobals:FITRPA:gUplim=V_max
1139	ControlUpdate/W=FITRPAPanel/A
1140
1141	//Check to see if the FitWindow exists
1142	//Plot the data in a FitWindow
1143	If(WinType("FitWindow") == 0)
1144	Display /W=(5,42,480,400)/K=1 yAxisWave vs xAxisWave
1145	ModifyGraph mode=3,standoff=0,marker=8
1146	ErrorBars/T=0 yAxisWave Y,wave=(yErrWave,yErrWave)
1147	TextBox/C/N=textLabel/A=RB "File = "+cleanLastFileName
1148	DoWindow/C FitWindow
1149	ShowInfo
1150	else
1151	//window already exists, just bring to front for update
1152	DoWindow/F FitWindow
1153	TextBox/C/N=textLabel/A=RB "File = "+cleanLastFileName
1154	endif
1155	// remove old text boxes
1156	TextBox/K/N=text_1
1157	TextBox/K/N=text_2
1158	TextBox/K/N=text_3
1159	RemoveFromGraph/W=fitWindow /Z fit_yAxisWave
1160	SetAxis/A
1161
1162	//put cursors on the graph at first and last points
1163	Cursor/P A yAxisWave 0
1164	Cursor/P B yAxisWave (numpnts(yAxisWave) - 1)
1165	End
1166
1167	//Fitting function for the POL-B standards
1168	//
1169	Function BStandardFunction(parameterWave, x)
1170	Wave parameterWave; Variable x
1171
1172	//Model parameters
1173	Variable KN=4.114E-3,CH=9.613E4, CD=7.558E4, NH=1872, ND=1556
1174	Variable INC=0.32, CHIV=2.2E-6
1175	//Correction based on absolute flux measured 5/93
1176	Variable CORR = 1.1445
1177
1178	//Local variables
1179	Variable AP2,QRGH,QRGD,IABS_RPA,IABS
1180
1181	//Calculate the function here
1182	ap2=parameterWave[1]^2
1183	qrgh = xsqrt(nhap2/6)
1184	qrgd = xsqrt(ndap2/6)
1185	iabs_rpa = kn/(1/(chFIT_dbf(qrgh)) + 1/(cdFIT_dbf(qrgd)) - chiv)
1186	iabs = corr*iabs_rpa + inc
1187
1188	//return the result
1189	return parameterWave[0]*iabs
1190
1191	End
1192
1193	//Fitting function for the POL-C standards
1194	//
1195	Function CStandardFunction(parameterWave, x)
1196	Wave parameterWave; Variable x
1197
1198	//Model parameters
1199	Variable KN=4.114E-3,CH=2.564E5, CD=1.912E5, NH=4993, ND=3937
1200	Variable INC=0.32, CHIV=2.2E-6
1201	//Correction based on absolute flux measured 5/93
1202	Variable CORR = 1.0944
1203
1204	//Local variables
1205	Variable AP2,QRGH,QRGD,IABS_RPA,IABS
1206
1207	//Calculate the function here
1208	ap2=parameterWave[1]^2
1209	qrgh = xsqrt(nhap2/6)
1210	qrgd = xsqrt(ndap2/6)
1211	iabs_rpa = kn/(1/(chFIT_dbf(qrgh)) + 1/(cdFIT_dbf(qrgd)) - chiv)
1212	iabs = corr*iabs_rpa + inc
1213
1214	//return the result
1215	return parameterWave[0]*iabs
1216
1217	End
1218
1219	//fitting function for the POL-AS standards
1220	//
1221	Function ASStandardFunction(parameterWave, x)
1222	Wave parameterWave; Variable x
1223
1224	//Model parameters
1225	Variable KN=64.5,CH=1.0, CD=1.0, NH=766, ND=766
1226	Variable INC=0.32, CHIV=0.0
1227
1228	//Local variables
1229	Variable AP2,QRGH,QRGD,IABS_RPA,IABS
1230
1231	//Calculate the function here
1232	ap2=parameterWave[1]^2
1233	qrgh = xsqrt(nhap2/6)
1234
1235	//The following lines were commented out in the fortran function
1236	//qrgd = xsqrt(ndap2/6)
1237	//iabs_rpa = kn/(1/(chFIT_dbf(qrgh)) + 1/(cdFIT_dbf(qrgd)) - chiv)
1238
1239	iabs_rpa = kn*FIT_dbf(qrgh)
1240	iabs = iabs_rpa + inc
1241
1242	//return the result
1243	return parameterWave[0]*iabs
1244
1245	End
1246
1247	//Debye Function used for polymer standards
1248	Function FIT_dbf(rgq)
1249	Variable rgq
1250	Variable x
1251
1252	x=rgq*rgq
1253	if (x < 5.0E-3)
1254	return 1.0 - x/3 + x^2/12
1255	else
1256	return 2*(exp(-x) + x - 1)/x^2
1257	endif
1258	End
1259
1260
1261	//////////////////////////////// EMD FIT RPA //////////////////////////////////////
1262
1263
1264
1265
1266
1267
1268
1269
1270	//procedures to clean up after itself
1271	//
1272	// -- note that it's never going to unload if the SANS Reduction is open too - since
1273	// the old FIT_Ops was always loaded, and now points to this file.
1274	//
1275	Function UnloadLinFit()
1276
1277	if (WinType("FitPanel") == 7)
1278	DoWindow/K FitPanel
1279	endif
1280	if (WinType("FitWindow") != 0)
1281	DoWindow/K $"FitWindow"
1282	endif
1283	SetDataFolder root:
1284	Killwaves/Z xAxisWave,yAxisWave,yErrWave,residWave,yWtWave,fit_yAxisWave
1285
1286	SVAR/Z fileVerExt=root:Packages:NIST:SANS_ANA_EXTENSION
1287	if(SVAR_Exists(fileVerExt) == 0)
1288	return 0
1289	endif
1290
1291	String fname="LinearizedFits"
1292	Execute/P "DELETEINCLUDE \""+fname+fileVerExt+"\""
1293	Execute/P "COMPILEPROCEDURES "
1294	end
1295
1296	#if(exists("root:Packages:NIST:SANS_ANA_EXTENSION") != 0)
1297	//this keeps the SANS Models menu from appearing in the SANS Reduction package
1298	Menu "SANS Models"
1299	Submenu "Packages"
1300	"Unload Linear Fitting", UnloadLinFit()
1301	End
1302	end
1303
1304	#endif
1305
1306	Function FIT_PickPathButtonProc(ctrlName) : ButtonControl
1307	String ctrlName
1308
1309	A_PickPath()
1310	//pop the file menu
1311	FIT_FilePopMenuProc("",1,"")
1312	End

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