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sans/Dev/trunk/NCNR_User_Procedures/Reduction/SANS/FIT_Ops.ipf
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Revision 570, 37.3 KB checked in by srkline, 5 years ago (diff) |
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1 | #pragma rtGlobals=1 // Use modern global access method. |

2 | #pragma version=5.0 |

3 | #pragma IgorVersion=6.1 |

4 | |

5 | //************************** |

6 | //procedures for creating and initializing the FIT panel |

7 | //global variables (numerical only) are kept in root:myGlobals:FIT folder, |

8 | //created as needed |

9 | // |

10 | //also contains code for the FIT_RPA panel and its fitting procedures |

11 | // |

12 | //************************** |

13 | // |

14 | |

15 | //main procedures to open the panel, initializing the data folder and global variables |

16 | //as necessary. All are kept in a :FIT subfolder to avoid overlap with other variables |

17 | // |

18 | // To use any of the fit functions in the FIT panel, I(Q) data must already |

19 | // be loaded into memory (using "plot" from the 1-D data operations |

20 | // ** this may be useful to change in the future, replacing the 3 popups |

21 | // with a list box - allowing the user to pick/load the data from the fit panel |

22 | // and not offering any choice of q/i/s waves to use. (more consistent with the operation |

23 | // of the FIT/RPA panel) |

24 | // |

25 | Proc OpenFitPanel() |

26 | If(WinType("FitPanel") == 0) |

27 | //create the necessary data folder |

28 | NewDataFolder/O root:myGlobals:FIT |

29 | //initialize the values |

30 | Variable/G root:myGlobals:FIT:gLolim = 0.02 |

31 | Variable/G root:myGlobals:FIT:gUplim = 0.04 |

32 | Variable/G root:myGlobals:FIT:gExpA = 1 |

33 | Variable/G root:myGlobals:FIT:gExpB = 1 |

34 | Variable/G root:myGlobals:FIT:gExpC = 1 |

35 | Variable/G root:myGlobals:FIT:gBack = 0 |

36 | String/G root:myGlobals:FIT:gDataPopList = "none" |

37 | FitPanel() |

38 | else |

39 | //window already exists, just bring to front for update |

40 | DoWindow/F FitPanel |

41 | CheckBox check0,value=0 //deselect the checkbox to use cursors |

42 | endif |

43 | //pop the file menu |

44 | FIT_FilePopMenuProc("",1,"") |

45 | End |

46 | |

47 | //the actual window recreation macro to draw the fit panel. Globals and data folder must |

48 | // already be initialized |

49 | Window FitPanel() |

50 | String angst = root:myGlobals:gAngstStr |

51 | PauseUpdate; Silent 1 // building window... |

52 | NewPanel /W=(461,46,735,455)/K=1 |

53 | ModifyPanel cbRGB=(32768,54615,65535), fixedSize=1 |

54 | SetDrawLayer UserBack |

55 | DrawText 56,20,"Select Experimental Data" |

56 | DrawText 66,138,"q-range to fit ("+angst+"^-1)" |

57 | DrawText 42,268,"Select the y and x-axis scaling" |

58 | DrawLine 1,21,271,21 |

59 | DrawLine -1,272,273,272 |

60 | DrawLine -1,140,272,140 |

61 | // PopupMenu xwave,pos={13,31},size={158,19},title="q-values" |

62 | // PopupMenu xwave,help={"Select the experimental q-values. If no data is available, use Macro LoadQISData or LoadQSIGData."} |

63 | // PopupMenu xwave,mode=1,value= #"WaveList(\"*q\",\";\",\"\")" |

64 | PopupMenu ywave,pos={13,40},size={154,19},title="Data File" |

65 | PopupMenu ywave,help={"Select the experimental intensity values"} |

66 | PopupMenu ywave,mode=1,value=root:myGlobals:FIT:gDataPopList,proc=FIT_FilePopMenuProc |

67 | Button loadButton,pos={25,80},size={130,20},proc=FIT_Load_Proc,title="Load and Plot File" |

68 | Button loadButton,help={"After choosing a file, load it into memory and plot it with this button."} |

69 | Button helpButton,pos={200,80},size={25,20},proc=showFITHelp,title="?" |

70 | Button helpButton,help={"Show help file for linearized fitting"} |

71 | // PopupMenu ewave,pos={13,87},size={186,19},title="Std. Deviation" |

72 | // PopupMenu ewave,help={"Select the standard deviation of the intensity"} |

73 | // PopupMenu ewave,mode=1,value= #"WaveList(\"*s\",\";\",\"\")" |

74 | PopupMenu ymodel,pos={20,281},size={76,19},title="y-axis" |

75 | PopupMenu ymodel,help={"This popup selects how the y-axis will be linearized based on the chosen data"} |

76 | 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)\"" |

77 | Button GoFit,pos={60,367},size={70,20},proc=DispatchModel,title="Do the Fit" |

78 | Button GoFit,help={"This button will do the specified fit using the selections in this panel"} |

79 | Button DoneButton,pos={180,367},size={50,20},proc=FITDoneButton,title="Done" |

80 | Button DoneButton,help={"This button will close the panel and the associated graph"} |

81 | SetVariable lolim,pos={64,147},size={134,17},title="Lower Limit" |

82 | SetVariable lolim,help={"Enter the lower q-limit to perform the fit ("+angst+"^-1)"} |

83 | SetVariable lolim,limits={0,5,0},value= root:myGlobals:FIT:gLolim |

84 | SetVariable uplim,pos={63,169},size={134,17},title="Upper Limit" |

85 | SetVariable uplim,help={"Enter the upper q-limit to perform the fit ("+angst+"^-1)"} |

86 | SetVariable uplim,limits={0,5,0},value= root:myGlobals:FIT:gUplim |

87 | SetVariable expa,pos={13,311},size={80,17},title="pow \"a\"" |

88 | 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"} |

89 | SetVariable expa,limits={-2,10,0},value= root:myGlobals:FIT:gExpA |

90 | SetVariable expb,pos={98,311},size={80,17},title="pow \"b\"" |

91 | 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"} |

92 | SetVariable expb,limits={0,10,0},value= root:myGlobals:FIT:gExpB |

93 | PopupMenu xmodel,pos={155,280},size={79,19},title="x-axis" |

94 | PopupMenu xmodel,help={"This popup selects how the x-axis will be linearized given the chosen data"} |

95 | PopupMenu xmodel,mode=1,value= #"\"q;log(q);q^2;q^c\"" |

96 | CheckBox check0,pos={18,223},size={240,20},title="Use cursor range from FitWindow" |

97 | 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 |

98 | SetVariable back,pos={70,338},size={139,17},title="background" |

99 | SetVariable back,help={"This constant background value will be subtracted from the experimental intensity before fitting is done"} |

100 | SetVariable back,limits={-Inf,Inf,0},value= root:myGlobals:FIT:gBack |

101 | SetVariable expc,pos={182,310},size={80,17},title="pow \"c\"" |

102 | 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"} |

103 | SetVariable expc,limits={-10,10,0},value= root:myGlobals:FIT:gExpC |

104 | Button sh_all,pos={65,193},size={130,20},proc=ShowAllButtonProc,title="Show Full q-range" |

105 | Button sh_all,help={"Use this to show the entire q-range of the data rather than just the fitted range."} |

106 | EndMacro |

107 | |

108 | |

109 | Proc FITDoneButton(ctrlName): ButtonControl |

110 | String ctrlName |

111 | DoWindow/K FitWindow |

112 | DoWindow/K FitPanel |

113 | end |

114 | |

115 | Proc showFITHelp(ctrlName): ButtonControl |

116 | String ctrlName |

117 | DisplayHelpTopic/K=1/Z "SANS Data Reduction Tutorial[Fit Lines to Your Data]" |

118 | if(V_flag !=0) |

119 | DoAlert 0,"The SANS Data Reduction Tutorial Help file could not be found" |

120 | endif |

121 | end |

122 | |

123 | //Loads the selected file for fitting |

124 | //graphs the data as needed |

125 | Proc FIT_Load_Proc(ctrlName): ButtonControl |

126 | String ctrlName |

127 | |

128 | //Load the data |

129 | String tempName="",partialName="" |

130 | Variable err |

131 | ControlInfo $"ywave" |

132 | //find the file from the partial filename |

133 | If( (cmpstr(S_value,"")==0) || (cmpstr(S_value,"none")==0) ) |

134 | //null selection, or "none" from any popup |

135 | Abort "no file selected in popup menu" |

136 | else |

137 | //selection not null |

138 | partialName = S_value |

139 | //Print partialName |

140 | Endif |

141 | //get a valid file based on this partialName and catPathName |

142 | tempName = FindValidFilename(partialName) |

143 | |

144 | //prepend path to tempName for read routine |

145 | PathInfo catPathName |

146 | |

147 | tempName = S_path + tempName |

148 | |

149 | //load in the data (into the its own folder) |

150 | A_LoadOneDDataWithName(tempName,0) |

151 | //Print S_fileName |

152 | //Print tempName |

153 | |

154 | String cleanLastFileName = CleanupName(root:Packages:NIST:gLastFileName,0) |

155 | |

156 | tempName="root:"+cleanLastFileName+":"+cleanLastFileName |

157 | Duplicate/O $(tempName+"_q") xAxisWave |

158 | //tempName=cleanLastFileName+"_i" |

159 | Duplicate/O $(tempName+"_i") yAxisWave |

160 | //tempName=cleanLastFileName+"_s" |

161 | Duplicate/O $(tempName+"_s") yErrWave |

162 | |

163 | //Plot, and adjust the scaling to match the axis scaling set by the popups |

164 | Rescale_Data() |

165 | |

166 | End |

167 | |

168 | //gets a valid file list (simply not the files with ".SAn" in the name) |

169 | // |

170 | Function FIT_FilePopMenuProc(ctrlName,popNum,popStr) : PopupMenuControl |

171 | String ctrlName |

172 | Variable popNum |

173 | String popStr |

174 | |

175 | String tempStr=ReducedDataFileList(ctrlName) |

176 | if(strlen(tempStr)==0) |

177 | tempStr = "Pick the data path" |

178 | Endif |

179 | String/G root:myGlobals:FIT:gDataPopList =tempStr //function is in NSORT.ipf |

180 | ControlUpdate ywave |

181 | |

182 | End |

183 | |

184 | //direct porting of the fit program from the VAX, with no corrections and only |

185 | //minor modifications of additional linearizations and the option |

186 | //to subtract a constant (q-independent) background value before doing any |

187 | //of the fits. The original data on disk (and as loaded) is never modified, all |

188 | //manipulation is done from a copy of the data. |

189 | |

190 | //button procedure to show the entire axis range of the data, rather than just |

191 | //the fitted range, which is the default display after a fit is performed |

192 | // |

193 | Function ShowAllButtonProc(ctrlName) : ButtonControl |

194 | String ctrlName |

195 | |

196 | //bring the FitWindow to the front and Autoscale the axes |

197 | DoWindow/F FitWindow |

198 | SetAxis/A |

199 | End |

200 | |

201 | // function that takes the current dataset (already loaded) |

202 | // and replots it based on the X/Y axis scaling selected in the popups |

203 | // (does not fit the data) |

204 | // |

205 | Function Rescale_Data() |

206 | |

207 | //Scaling exponents and background value |

208 | Variable pow_a,pow_b,pow_c,bkg |

209 | ControlInfo/W=FitPanel expa |

210 | pow_a = V_value |

211 | ControlInfo/W=FitPanel expb |

212 | pow_b = V_value |

213 | ControlInfo/W=FitPanel expc |

214 | pow_c = V_value |

215 | ControlInfo/W=FitPanel back |

216 | bkg = V_value |

217 | |

218 | //check for physical limits on exponent values |

219 | // if bad values found, alert, and reset to good values so the rescaling can continue |

220 | NVAR gA = root:myGlobals:FIT:gExpA |

221 | NVAR gB = root:myGlobals:FIT:gExpB |

222 | NVAR gC = root:myGlobals:FIT:gExpC |

223 | if((pow_a < -2) || (pow_a > 10)) |

224 | DoAlert 0,"Exponent a must be in the range (-2,10) - the exponent a has been reset to 1" |

225 | gA = 1 |

226 | endif |

227 | if((pow_b < 0) || (pow_b > 10)) |

228 | DoAlert 0,"Exponent b must be in the range (0,10) - the exponent b has been reset to 1" |

229 | gB = 1 |

230 | endif |

231 | //if q^c is the x-scaling, c must be be within limits and also non-zero |

232 | ControlInfo/W=FitPanel xModel |

233 | If (cmpstr("q^c",S_Value) == 0) |

234 | if(pow_c == 0) |

235 | DoAlert 0,"Exponent c must be non-zero, c has been reset to 1" |

236 | gC = 1 |

237 | endif |

238 | if((pow_c < -10) || (pow_c > 10)) |

239 | DoAlert 0,"Exponent c must be in the range (-10,10), c has been reset to 1" |

240 | gC = 1 |

241 | endif |

242 | endif |

243 | |

244 | //do the rescaling of the data |

245 | // get the current experimental q, I, and std dev. waves (as they would be loaded ) |

246 | |

247 | //ControlInfo/W=FitPanel ywave |

248 | //get the filename from the global as it's loaded, rather from the popup - as version numbers |

249 | // do cause problems here. This global is also used later in this function |

250 | SVAR gLastFileName = root:Packages:NIST:gLastFileName |

251 | String tempStr = CleanupName(gLastFileName,0) |

252 | String tempName = "root:"+tempStr+":"+tempStr |

253 | |

254 | Wave xw = $(tempName+"_q") |

255 | Wave yw = $(tempName+"_i") |

256 | Wave ew = $(tempName+"_s") |

257 | |

258 | //variables set for each model to control look of graph |

259 | Variable xlow,xhigh,ylow,yhigh,yes_cursors |

260 | String xlabel,ylabel,xstr,ystr |

261 | //check for proper y-scaling selection, make the necessary waves |

262 | ControlInfo/W=FitPanel yModel |

263 | ystr = S_Value |

264 | // print "ystr = ",ystr |

265 | do |

266 | // make the new yaxis waves, including weighting wave |

267 | Duplicate/O yw yAxisWave,yErrWave,yWtWave,residWave |

268 | //subtract the background value from yAxisWave before doing any rescaling |

269 | yAxisWave = yw - bkg |

270 | |

271 | If (cmpstr("I",S_Value) == 0) |

272 | SetScale d 0,0,"1/cm",yAxisWave |

273 | yErrWave = ew |

274 | yWtWave = 1/yErrWave |

275 | yAxisWave = yAxisWave |

276 | ylabel = "I(q)" |

277 | break |

278 | endif |

279 | If (cmpstr("ln(I)",S_Value) == 0) |

280 | SetScale d 0,0,"",yAxisWave |

281 | yErrWave = ew/yAxisWave |

282 | yWtWave = 1/yErrWave |

283 | yAxisWave = ln(yAxisWave) |

284 | ylabel = "ln(I)" |

285 | break |

286 | endif |

287 | If (cmpstr("log(I)",S_Value) == 0) |

288 | SetScale d 0,0,"",yAxisWave |

289 | yErrWave = ew/(2.30*yAxisWave) |

290 | yWtWave = 1/yErrWave |

291 | yAxisWave = log(yAxisWave) |

292 | ylabel = "log(I)" |

293 | break |

294 | endif |

295 | If (cmpstr("1/I",S_Value) == 0) |

296 | SetScale d 0,0,"",yAxisWave |

297 | yErrWave = ew/yAxisWave^2 |

298 | yWtWave = 1/yErrWave |

299 | yAxisWave = 1/yAxisWave |

300 | ylabel = "1/I" |

301 | break |

302 | endif |

303 | If (cmpstr("I^a",S_Value) == 0) |

304 | SetScale d 0,0,"",yAxisWave |

305 | yErrWave = ew*abs(pow_a*(yAxisWave^(pow_a-1))) |

306 | yWtWave = 1/yErrWave |

307 | yAxisWave = yAxisWave^pow_a |

308 | ylabel = "I^"+num2str(pow_a) |

309 | break |

310 | endif |

311 | If (cmpstr("Iq^a",S_Value) == 0) |

312 | SetScale d 0,0,"",yAxisWave |

313 | yErrWave = ew*xw^pow_a |

314 | yWtWave = 1/yErrWave |

315 | yAxisWave = yAxisWave*xw^pow_a |

316 | ylabel = "I*q^"+num2str(pow_a) |

317 | break |

318 | endif |

319 | If (cmpstr("I^a q^b",S_Value) == 0) |

320 | SetScale d 0,0,"",yAxisWave |

321 | yErrWave = ew*abs(pow_a*(yAxisWave^(pow_a-1)))*xw^pow_b |

322 | yWtWave = 1/yErrWave |

323 | yAxisWave = yAxisWave^pow_a*xw^pow_b |

324 | ylabel = "I^" + num2str(pow_a) + "q^"+num2str(pow_b) |

325 | break |

326 | endif |

327 | If (cmpstr("1/sqrt(I)",S_Value) == 0) |

328 | SetScale d 0,0,"",yAxisWave |

329 | yErrWave = 0.5*ew*yAxisWave^(-1.5) |

330 | yWtWave = 1/yErrWave |

331 | yAxisWave = 1/sqrt(yAxisWave) |

332 | ylabel = "1/sqrt(I)" |

333 | break |

334 | endif |

335 | If (cmpstr("ln(Iq)",S_Value) == 0) |

336 | SetScale d 0,0,"",yAxisWave |

337 | yErrWave =ew/yAxisWave |

338 | yWtWave = 1/yErrWave |

339 | yAxisWave = ln(xw*yAxisWave) |

340 | ylabel = "ln(q*I)" |

341 | break |

342 | endif |

343 | If (cmpstr("ln(Iq^2)",S_Value) == 0) |

344 | SetScale d 0,0,"",yAxisWave |

345 | yErrWave = ew/yAxisWave |

346 | yWtWave = 1/yErrWave |

347 | yAxisWave = ln(xw*xw*yAxisWave) |

348 | ylabel = "ln(I*q^2)" |

349 | break |

350 | endif |

351 | //more ifs for each case |

352 | |

353 | // if selection not found, abort |

354 | DoAlert 0,"Y-axis scaling incorrect. Aborting" |

355 | Abort |

356 | while(0) //end of "case" statement for y-axis scaling |

357 | |

358 | |

359 | //check for proper x-scaling selection |

360 | Variable low,high |

361 | |

362 | ControlInfo/W=FitPanel lolim |

363 | low = V_value |

364 | ControlInfo/W=FitPanel uplim |

365 | high = V_value |

366 | if ((high<low) || (high==low)) |

367 | DoAlert 0,"Unphysical fitting limits - re-enter better values" |

368 | Abort |

369 | endif |

370 | |

371 | SVAR aStr = root:myGlobals:gAngstStr |

372 | |

373 | ControlInfo/W=FitPanel xModel |

374 | xstr = S_Value |

375 | do |

376 | // make the new yaxis wave |

377 | Duplicate/o xw xAxisWave |

378 | If (cmpstr("q",S_Value) == 0) |

379 | SetScale d 0,0,aStr+"^-1",xAxisWave |

380 | xAxisWave = xw |

381 | xlabel = "q" |

382 | xlow = low |

383 | xhigh = high |

384 | break |

385 | endif |

386 | If (cmpstr("q^2",S_Value) == 0) |

387 | SetScale d 0,0,aStr+"^-2",xAxisWave |

388 | xAxisWave = xw*xw |

389 | xlabel = "q^2" |

390 | xlow = low^2 |

391 | xhigh = high^2 |

392 | break |

393 | endif |

394 | If (cmpstr("log(q)",S_Value) == 0) |

395 | SetScale d 0,0,"",xAxisWave |

396 | xAxisWave = log(xw) |

397 | xlabel = "log(q)" |

398 | xlow = log(low) |

399 | xhigh = log(high) |

400 | break |

401 | endif |

402 | If (cmpstr("q^c",S_Value) == 0) |

403 | SetScale d 0,0,"",xAxisWave |

404 | xAxisWave = xw^pow_c |

405 | xlabel = "q^"+num2str(pow_c) |

406 | xlow = low^pow_c |

407 | xhigh = high^pow_c |

408 | break |

409 | endif |

410 | |

411 | //more ifs for each case |

412 | |

413 | // if selection not found, abort |

414 | DoAlert 0,"X-axis scaling incorrect. Aborting" |

415 | Abort |

416 | while(0) //end of "case" statement for x-axis scaling |

417 | |

418 | //plot the data |

419 | |

420 | String cleanLastFileName = "root:"+CleanupName(gLastFileName,0) |

421 | If(WinType("FitWindow") == 0) |

422 | Display /W=(5,42,480,400)/K=1 yAxisWave vs xAxisWave |

423 | ModifyGraph mode=3,standoff=0,marker=8 |

424 | ErrorBars/T=0 yAxisWave Y,wave=(yErrWave,yErrWave) |

425 | ModifyGraph opaque(yAxisWave)=1 |

426 | DoWindow/C FitWindow |

427 | else |

428 | //window already exists, just bring to front for update |

429 | DoWindow/F FitWindow |

430 | // remove old text boxes |

431 | TextBox/K/N=text_1 |

432 | TextBox/K/N=text_2 |

433 | TextBox/K/N=text_3 |

434 | endif |

435 | SetAxis/A |

436 | ModifyGraph tickUnit=1 //suppress tick units in labels |

437 | TextBox/C/N=textLabel/A=RB "File = "+cleanLastFileName |

438 | //clear the old fit from the window, if it exists |

439 | RemoveFromGraph/W=FitWindow/Z fit_yAxisWave |

440 | |

441 | // add the cursors if desired... |

442 | //see if the user wants to use the data specified by the cursors - else use numerical values |

443 | |

444 | ControlInfo/W=FitPanel check0 //V_value = 1 if it is checked, meaning yes, use cursors |

445 | yes_cursors = V_value |

446 | |

447 | DoWindow/F FitWindow |

448 | ShowInfo |

449 | if(yes_cursors) |

450 | xlow = xAxisWave[xcsr(A)] |

451 | xhigh = xAxisWave[xcsr(B)] |

452 | if(xlow > xhigh) |

453 | xhigh = xlow |

454 | xlow = xAxisWave[xcsr(B)] |

455 | endif |

456 | // Print xlow,xhigh |

457 | else |

458 | FindLevel/P/Q xAxisWave, xlow |

459 | if(V_flag == 1) //level NOT found |

460 | DoAlert 0,"Lower q-limit not in experimental q-range. Re-enter a better value" |

461 | //DoWindow/K FitWindow |

462 | //Abort |

463 | endif |

464 | Cursor/P A, yAxisWave,trunc(V_LevelX)+1 |

465 | ylow = V_LevelX |

466 | FindLevel/P/Q xAxisWave, xhigh |

467 | if(V_flag == 1) |

468 | DoAlert 0,"Upper q-limit not in experimental q-range. Re-enter a better value" |

469 | //DoWindow/K FitWindow |

470 | //Abort |

471 | endif |

472 | Cursor/P B, yAxisWave,trunc(V_LevelX) |

473 | yhigh = V_LevelX |

474 | endif //if(V_value) |

475 | //SetAxis bottom,xlow,xhigh |

476 | //SetAxis left,ylow,yhigh |

477 | Label left ylabel |

478 | Label bottom xlabel //E denotes "scaling" - may want to use "units" instead |

479 | |

480 | End |

481 | |

482 | |

483 | //button procedure that is activated to "DotheFit" |

484 | //the panel is parsed for proper fitting limits |

485 | // the appropriate linearization is formed (in the Rescale_Data() function) |

486 | // and the fit is done, |

487 | //and the results are plotted |

488 | // function works in root level data folder (where the loaded 1-d data will be) |

489 | Function DispatchModel(GoFit) : ButtonControl |

490 | String GoFit |

491 | |

492 | //check for the FitWindow - to make sure that there is data to fit |

493 | If(WinType("FitWindow") == 0) //if the window doesn't exist |

494 | Abort "You must Load and Plot a File before fitting the data" |

495 | endif |

496 | // rescale the data, to make sure it's as selected on the panel |

497 | Rescale_Data() |

498 | |

499 | // now go do the fit |

500 | |

501 | // get the current low and high q values for fitting |

502 | Variable low,high |

503 | |

504 | ControlInfo/W=FitPanel lolim |

505 | low = V_value |

506 | ControlInfo/W=FitPanel uplim |

507 | high = V_value |

508 | if ((high<low) || (high==low)) |

509 | DoAlert 0,"Unphysical fitting limits - re-enter better values" |

510 | Abort |

511 | endif |

512 | |

513 | //try including residuals on the graph /R=residWave, explicitly place on new axis |

514 | //if only /R used, residuals are automatically placed on graph |

515 | |

516 | CurveFit line yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /D |

517 | //CurveFit line yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /R /D |

518 | ModifyGraph rgb(fit_yAxisWave)=(0,0,0) |

519 | ModifyGraph lsize(fit_yAxisWave)=2 |

520 | // annotate graph, filtering out special cases of Guinier fits |

521 | // Text Boxes must be used, since ControlBars on graphs DON'T print out |

522 | |

523 | // need access to Global wave, result of fit |

524 | //ystr and xstr are the axis strings - filter with a do-loop |

525 | String ystr="",xstr="" |

526 | SVAR gLastFileName = root:Packages:NIST:gLastFileName |

527 | SVAR aStr = root:myGlobals:gAngstStr |

528 | String tmpStr = CleanupName(gLastFileName,0) |

529 | //ControlInfo/W=FitPanel ywave |

530 | Wave xw = $("root:"+tmpStr+":"+tmpStr+"_q") |

531 | ControlInfo/W=FitPanel yModel |

532 | ystr = S_Value |

533 | ControlInfo/W=FitPanel xModel |

534 | xstr = S_Value |

535 | |

536 | WAVE W_coef=W_coef |

537 | WAVE W_sigma=W_sigma |

538 | String textstr_1,textstr_2,textstr_3 = "" |

539 | Variable rg,rgerr,minfit,maxfit |

540 | |

541 | textstr_1 = "Slope = " + num2str(W_coef[1]) + " ± " + num2str(W_sigma[1]) |

542 | textstr_1 += "\rIntercept = " + num2str(W_coef[0]) + " ± " + num2str(W_sigma[0]) |

543 | textstr_1 += "\rChi-Squared = " + num2str(V_chisq/(V_npnts - 3)) |

544 | |

545 | minfit = xw[xcsr(A)] |

546 | maxfit = xw[xcsr(B)] |

547 | textstr_2 = "Qmin = " + num2str(minfit) |

548 | textstr_2 += "\rQmax = " + num2str(maxfit) |

549 | |

550 | //model-specific calculations - I(0), Rg, etc. |

551 | //put these in textstr_3, at bottom |

552 | do |

553 | If (cmpstr("I",ystr) == 0) |

554 | textstr_3 = "I(q=0) = " + num2str(W_coef[0]) |

555 | break |

556 | endif |

557 | If (cmpstr("ln(I)",ystr) == 0) |

558 | textstr_3 = "I(q=0) = " + num2str(exp(W_coef[0])) |

559 | if(cmpstr("q^2",xstr) == 0) //then a Guinier plot for a sphere (3-d) |

560 | rg = sqrt(-3*W_coef[1]) |

561 | rgerr = 3*W_sigma[1]/(2*rg) |

562 | textstr_3 += "\rRg ("+aStr+") = " + num2str(rg) + " ± " + num2str(rgerr) |

563 | textstr_3 += "\r" + num2str(rg*minfit) + " < Rg*q < " + num2str(rg*maxfit) |

564 | break |

565 | endif |

566 | break |

567 | endif |

568 | If (cmpstr("log(I)",ystr) == 0) |

569 | if(cmpstr("log(q)",xstr) !=0 ) //extrapolation is nonsense |

570 | textstr_3 = "I(q=0) = " + num2str(10^(W_coef[0])) |

571 | endif |

572 | break |

573 | endif |

574 | If (cmpstr("1/I",ystr) == 0) |

575 | textstr_3 = "I(q=0) = " + num2str(1/W_coef[0])+ " ± " + num2str(1/(W_coef[0] - W_sigma[0])-1/W_coef[0]) |

576 | break |

577 | endif |

578 | If (cmpstr("I^a",ystr) == 0) |

579 | //nothing |

580 | break |

581 | endif |

582 | If (cmpstr("Iq^a",ystr) == 0) |

583 | //nothing |

584 | break |

585 | endif |

586 | If (cmpstr("I^a q^b",ystr) == 0) |

587 | //nothing |

588 | break |

589 | endif |

590 | If (cmpstr("1/sqrt(I)",ystr) == 0) |

591 | textstr_3 = "I(q=0) = " + num2str((W_coef[0])^2) |

592 | break |

593 | endif |

594 | If (cmpstr("ln(Iq)",ystr) == 0) |

595 | //nothing |

596 | if(cmpstr("q^2",xstr) == 0) //then a x-sect Guinier plot for a rod (2-d) |

597 | // rg now is NOT the radius of gyration, but the x-sect DIAMETER |

598 | rg = 4*sqrt(-W_coef[1]) |

599 | rgerr = 8*W_sigma[1]/rg |

600 | textstr_3 = "Rod diameter ("+aStr+") = " + num2str(rg) + " ± " + num2str(rgerr) |

601 | textstr_3 += "\r" + num2str(rg*minfit) + " < Rg*q < " + num2str(rg*maxfit) |

602 | break |

603 | endif |

604 | break |

605 | endif |

606 | If (cmpstr("ln(Iq^2)",ystr) == 0) |

607 | //nothing |

608 | if(cmpstr("q^2",xstr) == 0) //then a 1-d Guinier plot for a sheet |

609 | // rg now is NOT the radius of gyration, but the thickness |

610 | rg = sqrt(-12*W_coef[1]) |

611 | rgerr = 6*W_sigma[1]/(2*rg) |

612 | textstr_3 = "Platelet thickness ("+aStr+") = " + num2str(rg) + " ± " + num2str(rgerr) |

613 | textstr_3 += "\r" + num2str(rg*minfit) + " < Rg*q < " + num2str(rg*maxfit) |

614 | break |

615 | endif |

616 | break |

617 | endif |

618 | |

619 | while(0) |

620 | //kill the old textboxes, if they exist |

621 | TextBox/W=FitWindow/K/N=text_1 |

622 | TextBox/W=FitWindow/K/N=text_2 |

623 | TextBox/W=FitWindow/K/N=text_3 |

624 | // write the new text boxes |

625 | TextBox/W=FitWindow/N=text_1/A=LT textstr_1 |

626 | TextBox/W=FitWindow/N=text_2/A=LC textstr_2 |

627 | If (cmpstr("",textstr_3) != 0) //only display textstr_3 if it isn't null |

628 | TextBox/W=FitWindow/N=text_3/A=LB textstr_3 |

629 | endif |

630 | |

631 | //adjust the plot range to reflect the actual fitted range |

632 | //cursors are already on the graph, done by Rescale_Data() |

633 | AdjustAxisToCursors() |

634 | |

635 | End |

636 | |

637 | // adjusts both the x-axis scaling and y-axis scaling to the cursor range |

638 | // **cursors are already on the graph, done by Rescale_Data() |

639 | // |

640 | // will expand the scale to show an extra 5 points in each direction (if available) |

641 | Function AdjustAxisToCursors() |

642 | |

643 | DoWindow/F FitWindow |

644 | WAVE xAxisWave = root:xAxisWave |

645 | WAVE yAxisWave = root:yAxisWave |

646 | Variable xlow,xhigh,ylow,yhigh,yptlow,ypthigh |

647 | Variable extraPts = 5, num=numpnts(xAxisWave) |

648 | |

649 | String csrA = CsrInfo(A ,"FitWindow") |

650 | String csrB = CsrInfo(B ,"FitWindow") |

651 | |

652 | //x-levels, these are monotonic |

653 | Variable ptLow,ptHigh,tmp |

654 | ptLow = NumberByKey("POINT", csrA ,":" ,";") |

655 | ptHigh = NumberByKey("POINT", csrB ,":" ,";") |

656 | if(ptLow > ptHigh) |

657 | tmp= ptLow |

658 | ptLow=ptHigh |

659 | ptHigh=tmp |

660 | endif |

661 | |

662 | // keep extended point range in bounds |

663 | ptLow = (ptLow-extraPts) >= 0 ? ptLow-extraPts : 0 |

664 | ptHigh = (ptHigh+extraPts) <= (num-1) ? ptHigh + extraPts : num-1 |

665 | |

666 | xlow = xAxisWave[ptLow] |

667 | xhigh = xAxisWave[ptHigh] |

668 | //old way |

669 | // xlow = xAxisWave[xcsr(A)] |

670 | // xhigh = xAxisWave[xcsr(B)] |

671 | // if(xlow > xhigh) |

672 | // xhigh = xlow |

673 | // xlow = xAxisWave[xcsr(B)] |

674 | // endif |

675 | |

676 | //y-levels (old way) |

677 | // FindLevel/P/Q xAxisWave, xlow |

678 | // if(V_flag == 1) //level NOT found |

679 | // DoAlert 0,"Lower q-limit not in experimental q-range. Re-enter a better value" |

680 | // endif |

681 | // yptlow = V_LevelX |

682 | // FindLevel/P/Q xAxisWave, xhigh |

683 | // if(V_flag == 1) |

684 | // DoAlert 0,"Upper q-limit not in experimental q-range. Re-enter a better value" |

685 | // endif |

686 | // ypthigh = V_LevelX |

687 | |

688 | // Print xlow,xhigh,yptlow,ypthigh |

689 | // Print yAxisWave[yptlow],yAxisWave[ypthigh] |

690 | |

691 | |

692 | // make sure ylow/high are in the correct order, since the slope could be + or - |

693 | yhigh = max(yAxisWave[ptlow],yAxisWave[pthigh]) |

694 | ylow = min(yAxisWave[ptlow],yAxisWave[pthigh]) |

695 | |

696 | // Print ptLow,ptHigh |

697 | // print xlow,xhigh |

698 | // print ylow,yhigh |

699 | |

700 | SetAxis bottom,xlow,xhigh |

701 | SetAxis left ylow,yhigh |

702 | |

703 | End |

704 | |

705 | |

706 | //**************************************** |

707 | //procedures for creating and initializing the FITRPA panel |

708 | //global variables (numerical only) are kept in root:myGlobals:FITRPA folder, |

709 | //created as needed |

710 | // |

711 | // very similar in function to the FIT panel |

712 | // |

713 | Proc OpenFitRPAPanel() |

714 | If(WinType("FitRPAPanel") == 0) |

715 | //create the necessary data folder |

716 | NewDataFolder/O root:myGlobals:FITRPA |

717 | //initialize the values |

718 | Variable/G root:myGlobals:FITRPA:gLolim = 0.02 |

719 | Variable/G root:myGlobals:FITRPA:gUplim = 0.04 |

720 | Variable/G root:myGlobals:FITRPA:gBack = 0 |

721 | Variable/G root:myGlobals:FITRPA:gLambda = 6.0 |

722 | PathInfo/S catPathName |

723 | String localpath = S_path |

724 | if (V_flag == 0) |

725 | //path does not exist - no folder selected |

726 | String/G root:myGlobals:FITRPA:gPathStr = "no folder selected" |

727 | else |

728 | String/G root:myGlobals:FITRPA:gPathStr = localpath |

729 | endif |

730 | String/G root:myGlobals:FITRPA:gDataPopList = "none" |

731 | FitRPAPanel() |

732 | else |

733 | //window already exists, just bring to front for update |

734 | DoWindow/F FitRPAPanel |

735 | endif |

736 | //pop the menu |

737 | FilePopMenuProc("",1,"") |

738 | End |

739 | |

740 | //used on the fit/rpa panel to select the path for the data |

741 | // - automatically pops the file list after the new path selection |

742 | Function FITRPAPickPathButton(ctrlName) : ButtonControl |

743 | String ctrlName |

744 | |

745 | Variable err = PickPath() //sets global path value |

746 | SVAR pathStr = root:myGlobals:gCatPathStr |

747 | |

748 | //set the global string for NSORT to the selected pathname |

749 | String/G root:myGlobals:FITRPA:gPathStr = pathStr |

750 | |

751 | //call the popup menu proc's to re-set the menu choices |

752 | FilePopMenuProc("filePopup",1,"") |

753 | |

754 | End |

755 | |

756 | //gets a valid file list (simply not the files with ".SAn" in the name) |

757 | // |

758 | Function FilePopMenuProc(ctrlName,popNum,popStr) : PopupMenuControl |

759 | String ctrlName |

760 | Variable popNum |

761 | String popStr |

762 | |

763 | String tempStr=ReducedDataFileList(ctrlName) |

764 | if(strlen(tempStr)==0) |

765 | tempStr = "Pick the data path" |

766 | Endif |

767 | String/G root:myGlobals:FITRPA:gDataPopList = tempStr //function is in NSORT.ipf |

768 | ControlUpdate filePopup |

769 | |

770 | End |

771 | |

772 | |

773 | |

774 | // window recreation macro to draw the fit/rpa panel |

775 | //globals and data folders must be present before drawing panel |

776 | // |

777 | Window FitRPAPanel() |

778 | |

779 | String angst = root:myGlobals:gAngstStr |

780 | PauseUpdate; Silent 1 // building window... |

781 | NewPanel /W=(250,266,591,579)/K=1 |

782 | ModifyPanel cbRGB=(32768,54528,65280) |

783 | ModifyPanel fixedSize=1 |

784 | SetDrawLayer UserBack |

785 | SetDrawEnv fstyle= 1 |

786 | DrawText 81,19,"Select Experimental Data" |

787 | SetDrawEnv fstyle= 1 |

788 | DrawText 97,102,"q-range to fit ("+angst+"^-1)" |

789 | SetDrawEnv fstyle= 1 |

790 | DrawText 87,239,"Select the fit parameters" |

791 | SetDrawEnv fillpat= 0 |

792 | DrawRect 1,103,338,224 |

793 | SetDrawEnv fillpat= 0 |

794 | DrawRect 1,20,337,83 |

795 | SetDrawEnv fillpat= 0 |

796 | DrawRect 2,241,337,275 |

797 | // Button PathButton,pos={6,26},size={80,20},proc=FitRPAPickPathButton,title="Pick Path" |

798 | // Button PathButton,help={"Select the local path to the folder containing your SANS data"} |

799 | // SetVariable setPath,pos={95,29},size={240,17},title="Path:" |

800 | // SetVariable setPath,help={"The current path to the local folder with SANS data"} |

801 | // SetVariable setPath,fSize=10 |

802 | // SetVariable setPath,limits={0,0,0},value= root:myGlobals:FITRPA:gPathStr |

803 | PopupMenu filePopup,pos={8,30},size={96,21},proc=FilePopMenuProc,title="Files" |

804 | PopupMenu filePopup,help={"Select the data file to load."} |

805 | PopupMenu filePopup,mode=5,popvalue="none",value= #"root:myGlobals:FITRPA:gDataPopList" |

806 | SetVariable lambda,pos={111,250},size={120,18},title="Lambda ("+angst+")" |

807 | SetVariable lambda,help={"This sets the wavelength for the multiple scattering corrections."} |

808 | SetVariable lambda,limits={0,10,0},value= root:myGlobals:FITRPA:gLambda |

809 | Button GoFit,pos={60,286},size={80,20},proc=DoFITRPA,title="Do the Fit" |

810 | Button GoFit,help={"This button will do the specified fit using the selections in this panel"} |

811 | SetVariable lolim,pos={82,113},size={134,28},title="Lower Limit" |

812 | SetVariable lolim,help={"Enter the lower q-limit to perform the fit ("+angst+"^-1)"} |

813 | SetVariable lolim,limits={0,5,0},value= root:myGlobals:FITRPA:gLolim |

814 | SetVariable uplim,pos={80,140},size={134,28},title="Upper Limit" |

815 | SetVariable uplim,help={"Enter the upper q-limit to perform the fit ("+angst+"^-1)"} |

816 | SetVariable uplim,limits={0,5,0},value= root:myGlobals:FITRPA:gUplim |

817 | CheckBox RPA_check0,pos={64,198},size={190,20},title="Use cursor range from FitWindow" |

818 | 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 |

819 | PopupMenu model,pos={3,249},size={101,21},title="Standard" |

820 | PopupMenu model,help={"This popup selects which standard should be used to fit this data"} |

821 | PopupMenu model,mode=1,popvalue="B",value= #"\"B;C;AS\"" |

822 | Button sh_all,pos={82,168},size={130,20},proc=ShowAllButtonProc,title="Show Full q-range" |

823 | Button sh_all,help={"Use this to show the entire q-range of the data rather than just the fitted range."} |

824 | Button loadButton,pos={20,55},size={70,20},proc=FITRPA_Load_Proc,title="Load File" |

825 | Button loadButton,help={"After choosing a file, load it into memory and plot it with this button."} |

826 | Button helpButton,pos={270,55},size={25,20},proc=showFITHelp,title="?" |

827 | Button helpButton,help={"Show help file for RPA fitting"} |

828 | Button DoneButton,pos={200,286},size={50,20},proc=FITRPADoneButton,title="Done" |

829 | Button DoneButton,help={"This button will close the panel and the associated graph"} |

830 | EndMacro |

831 | |

832 | |

833 | Proc FITRPADoneButton(ctrlName) : ButtonControl |

834 | String ctrlName |

835 | DoWindow/K FitWindow |

836 | DoWindow/K FitRPAPanel |

837 | end |

838 | |

839 | //dispatches the fit to the appropriate model |

840 | //and the appropriate range, based on selections in the panel |

841 | // |

842 | Proc DoFITRPA(ctrlName) : ButtonControl |

843 | String ctrlName |

844 | // |

845 | String cleanLastFileName = CleanupName(root:Packages:NIST:gLastFileName,0) |

846 | String tmpStr = "root:"+cleanLastFileName+":"+cleanLastFileName |

847 | |

848 | Duplicate/O $(tmpStr+"_q") xAxisWave |

849 | Duplicate/O $(tmpStr+"_i") yAxisWave |

850 | Duplicate/O $(tmpStr+"_s") yErrWave,yWtWave,residWave |

851 | |

852 | yWtWave = 1/yErrWave |

853 | |

854 | String xlabel = "q (A^-1)" |

855 | String ylabel = "Intensity" |

856 | //Check to see if the FitWindow exists |

857 | //Plot the data in a FitWindow |

858 | If(WinType("FitWindow") == 0) |

859 | Display /W=(5,42,480,400)/K=1 yAxisWave vs xAxisWave |

860 | ModifyGraph mode=3,standoff=0,marker=8 |

861 | ErrorBars/T=0 yAxisWave Y,wave=(yErrWave,yErrWave) |

862 | DoWindow/C FitWindow |

863 | ShowInfo |

864 | else |

865 | //window already exists, just bring to front for update |

866 | DoWindow/F FitWindow |

867 | // remove old text boxes |

868 | TextBox/K/N=text_1 |

869 | TextBox/K/N=text_2 |

870 | TextBox/K/N=text_3 |

871 | endif |

872 | |

873 | //see if the user wants to use the data specified by the cursors - else use numerical values |

874 | Variable xlow,xhigh,ylow,yhigh,yes_cursors |

875 | ControlInfo/W=FitRPAPanel RPA_check0 //V_value = 1 if it is checked, meaning yes, use cursors |

876 | yes_cursors = V_value |

877 | |

878 | ControlInfo/W=FitRPAPanel lolim |

879 | xlow = V_value |

880 | ControlInfo/W=FitRPAPanel uplim |

881 | xhigh = V_value |

882 | if(yes_cursors) |

883 | xlow = xAxisWave[xcsr(A)] |

884 | xhigh = xAxisWave[xcsr(B)] |

885 | if(xlow > xhigh) |

886 | xhigh = xlow |

887 | xlow = xAxisWave[xcsr(B)] |

888 | endif |

889 | // Print "xlow,xhigh = ",xlow,xhigh |

890 | ylow = yAxisWave[xcsr(A)] |

891 | yhigh = yAxisWave[xcsr(B)] |

892 | if(ylow > yhigh) |

893 | ylow=yhigh |

894 | yhigh = yAxisWave[xcsr(A)] |

895 | endif |

896 | else |

897 | FindLevel/P/Q xAxisWave, xlow |

898 | if(V_flag == 1) //level NOT found |

899 | DoAlert 0,"Lower q-limit not in experimental q-range. Re-enter a better value" |

900 | DoWindow/K FitWindow |

901 | Abort |

902 | endif |

903 | Cursor/P A, yAxisWave,trunc(V_LevelX)+1 |

904 | ylow = yAxisWave[V_LevelX] |

905 | FindLevel/P/Q xAxisWave, xhigh |

906 | if(V_flag == 1) |

907 | DoAlert 0,"Upper q-limit not in experimental q-range. Re-enter a better value" |

908 | DoWindow/K FitWindow |

909 | Abort |

910 | endif |

911 | Cursor/P B, yAxisWave,trunc(V_LevelX) |

912 | yhigh = yAxisWave[V_LevelX] |

913 | if(ylow > yhigh) |

914 | yhigh=ylow |

915 | ylow = yAxisWave[V_levelX] |

916 | endif |

917 | endif //if(V_value) |

918 | SetAxis bottom,xlow,xhigh |

919 | |

920 | // print "ylow,yhigh",ylow,yhigh |

921 | |

922 | //Get the rest of the data from the panel |

923 | //such as which standard, the wavelength |

924 | ControlInfo/W=FitRPAPanel model |

925 | |

926 | //find the model name |

927 | String modelName = S_value |

928 | |

929 | Variable first_guess, seglength,iabs,iarb,thick |

930 | Make/D/O/N=2 fitParams |

931 | |

932 | seglength = 6.8 |

933 | |

934 | first_guess = 1.0 |

935 | fitParams[0] = first_guess |

936 | fitParams[1] = seglength |

937 | |

938 | If (cmpstr(modelName,"B")==0) |

939 | iabs = BStandardFunction(fitParams,xlow) |

940 | fitParams[0] = yhigh/iabs |

941 | // Print fitParams[0],fitParams[1] |

942 | FuncFit BStandardFunction fitParams yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /D |

943 | iarb = BStandardFunction(fitParams, 0.0) |

944 | iabs = iarb/fitParams[0] |

945 | thick = 0.153 |

946 | endif |

947 | If (cmpstr(modelName,"C")==0) |

948 | iabs = CStandardFunction(fitParams,xlow) |

949 | fitParams[0] = yhigh/iabs |

950 | FuncFit CStandardFunction fitParams yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /D |

951 | iarb = CStandardFunction(fitParams, 0.0) |

952 | iabs = iarb/fitParams[0] |

953 | thick= 0.153 |

954 | endif |

955 | If (cmpstr(modelName,"AS")==0) |

956 | iabs = ASStandardFunction(fitParams,xlow) |

957 | fitParams[0] = yhigh/iabs |

958 | FuncFit ASStandardFunction fitParams yAxisWave(xcsr(A),xcsr(B)) /X=xAxisWave /W=yWtWave /D |

959 | iarb = ASStandardFunction(fitParams, 0.0) |

960 | iabs = iarb/fitParams[0] |

961 | thick = 0.1 |

962 | endif |

963 | ModifyGraph rgb(fit_yAxisWave)=(0,0,0) |

964 | Label left ylabel |

965 | Label bottom xlabel //E denotes "scaling" - may want to use "units" instead |

966 | |

967 | ControlInfo/W=FitRPAPanel lambda |

968 | |

969 | Variable cor_mult = 1.0 + 2.2e-4*V_Value^2 |

970 | |

971 | //WAVE W_coef=W_coef |

972 | //WAVE W_sigma=W_sigma |

973 | String textstr_1,textstr_2,textstr_3 = "" |

974 | textstr_1 = "Scaling Parameter: "+num2str(fitParams[0])+" ± "+num2str(W_sigma[0]) |

975 | textstr_1 += "\rSegment Length: "+num2str(fitParams[1])+" ± "+num2str(W_sigma[1]) |

976 | textstr_1 += "\rChi-Squared = " + num2str(V_chisq/(V_npnts - 3)) |

977 | |

978 | textstr_2 = "Cross section at q=0: Iabs(0) = "+num2str(iabs)+"cm\S-1\M" |

979 | textstr_2 += "\rData extrapolated to q=0: Im(0) = "+num2str(iarb)+" Counts/(10\S8\M Mon cts)" |

980 | textstr_2 += "\rData corrected for multiple scattering: I(0) = "+num2str(iarb/cor_mult)+" Counts/(10\S8\M Mon cnts)" |

981 | |

982 | textstr_3 = "In the ABS protocol, " |

983 | textstr_3 += "\rStandard Thickness, d = "+num2str(thick)+"cm" |

984 | textstr_3 += "\rI(0), Iarb(0) = "+num2str(iarb/cor_mult)+"Counts/(10\S8\M Mon cts)" |

985 | textstr_3 += "\rStandard Cross Section, Iabs(0) = "+num2str(iabs)+"cm\S-1\M" |

986 | TextBox/K/N=text_1 |

987 | TextBox/K/N=text_2 |

988 | TextBox/K/N=text_3 |

989 | TextBox/N=text_2/A=RT textstr_2 |

990 | TextBox/N=text_3/A=RC textstr_3 |

991 | TextBox/N=text_1/A=RB textstr_1 |

992 | |

993 | End |

994 | |

995 | //loads the file selected in the popup for fitting with POL |

996 | //standard functions. Reads the wavelength from the header, using |

997 | //6 A as the default |

998 | //plots the data in FitWindow after reading the file |

999 | //updates lambda and full q-range on the Panel |

1000 | // |

1001 | Proc FITRPA_Load_Proc(ctrlName): ButtonControl |

1002 | String ctrlName |

1003 | //Load the data |

1004 | String tempName="",partialName="" |

1005 | Variable err |

1006 | ControlInfo $"filePopup" |

1007 | //find the file from the partial filename |

1008 | If( (cmpstr(S_value,"")==0) || (cmpstr(S_value,"none")==0) ) |

1009 | //null selection, or "none" from any popup |

1010 | Abort "no file selected in popup menu" |

1011 | else |

1012 | //selection not null |

1013 | partialName = S_value |

1014 | //Print partialName |

1015 | Endif |

1016 | //get a valid file based on this partialName and catPathName |

1017 | tempName = FindValidFilename(partialName) |

1018 | |

1019 | Variable lambdaFromFile=GetLambdaFromReducedData(tempName) |

1020 | Variable/G root:myGlobals:FITRPA:gLambda = lambdaFromFile |

1021 | Print "Lambda in file read as:", lambdaFromFile |

1022 | |

1023 | //prepend path to tempName for read routine |

1024 | PathInfo catPathName |

1025 | tempName = S_path + tempName |

1026 | |

1027 | //load in the data (into the root directory) |

1028 | A_LoadOneDDataWithName(tempName,0) |

1029 | //Print S_fileName |

1030 | //Print tempName |

1031 | |

1032 | String cleanLastFileName = CleanupName(root:Packages:NIST:gLastFileName,0) |

1033 | String tmpStr = "root:"+cleanLastFileName+":"+cleanLastFileName |

1034 | |

1035 | Duplicate/o $(tmpStr+"_q") xAxisWave |

1036 | Duplicate/o $(tmpStr+"_i") yAxisWave |

1037 | Duplicate/o $(tmpStr+"_s") yErrWave |

1038 | |

1039 | Variable xmin, xmax |

1040 | WaveStats/Q xAxisWave |

1041 | root:myGlobals:FITRPA:gLolim=V_min |

1042 | root:myGlobals:FITRPA:gUplim=V_max |

1043 | ControlUpdate/W=FITRPAPanel/A |

1044 | |

1045 | //Check to see if the FitWindow exists |

1046 | //Plot the data in a FitWindow |

1047 | If(WinType("FitWindow") == 0) |

1048 | Display /W=(5,42,480,400)/K=1 yAxisWave vs xAxisWave |

1049 | ModifyGraph mode=3,standoff=0,marker=8 |

1050 | ErrorBars/T=0 yAxisWave Y,wave=(yErrWave,yErrWave) |

1051 | TextBox/C/N=textLabel/A=RB "File = "+cleanLastFileName |

1052 | DoWindow/C FitWindow |

1053 | ShowInfo |

1054 | else |

1055 | //window already exists, just bring to front for update |

1056 | DoWindow/F FitWindow |

1057 | TextBox/C/N=textLabel/A=RB "File = "+cleanLastFileName |

1058 | endif |

1059 | // remove old text boxes |

1060 | TextBox/K/N=text_1 |

1061 | TextBox/K/N=text_2 |

1062 | TextBox/K/N=text_3 |

1063 | RemoveFromGraph/W=fitWindow /Z fit_yAxisWave |

1064 | SetAxis/A |

1065 | |

1066 | //put cursors on the graph at first and last points |

1067 | Cursor/P A yAxisWave 0 |

1068 | Cursor/P B yAxisWave (numpnts(yAxisWave) - 1) |

1069 | End |

1070 | |

1071 | //Fitting function for the POL-B standards |

1072 | // |

1073 | Function BStandardFunction(parameterWave, x) |

1074 | Wave parameterWave; Variable x |

1075 | |

1076 | //Model parameters |

1077 | Variable KN=4.114E-3,CH=9.613E4, CD=7.558E4, NH=1872, ND=1556 |

1078 | Variable INC=0.32, CHIV=2.2E-6 |

1079 | //Correction based on absolute flux measured 5/93 |

1080 | Variable CORR = 1.1445 |

1081 | |

1082 | //Local variables |

1083 | Variable AP2,QRGH,QRGD,IABS_RPA,IABS |

1084 | |

1085 | //Calculate the function here |

1086 | ap2=parameterWave[1]^2 |

1087 | qrgh = x*sqrt(nh*ap2/6) |

1088 | qrgd = x*sqrt(nd*ap2/6) |

1089 | iabs_rpa = kn/(1/(ch*FIT_dbf(qrgh)) + 1/(cd*FIT_dbf(qrgd)) - chiv) |

1090 | iabs = corr*iabs_rpa + inc |

1091 | |

1092 | //return the result |

1093 | return parameterWave[0]*iabs |

1094 | |

1095 | End |

1096 | |

1097 | //Fitting function for the POL-C standards |

1098 | // |

1099 | Function CStandardFunction(parameterWave, x) |

1100 | Wave parameterWave; Variable x |

1101 | |

1102 | //Model parameters |

1103 | Variable KN=4.114E-3,CH=2.564E5, CD=1.912E5, NH=4993, ND=3937 |

1104 | Variable INC=0.32, CHIV=2.2E-6 |

1105 | //Correction based on absolute flux measured 5/93 |

1106 | Variable CORR = 1.0944 |

1107 | |

1108 | //Local variables |

1109 | Variable AP2,QRGH,QRGD,IABS_RPA,IABS |

1110 | |

1111 | //Calculate the function here |

1112 | ap2=parameterWave[1]^2 |

1113 | qrgh = x*sqrt(nh*ap2/6) |

1114 | qrgd = x*sqrt(nd*ap2/6) |

1115 | iabs_rpa = kn/(1/(ch*FIT_dbf(qrgh)) + 1/(cd*FIT_dbf(qrgd)) - chiv) |

1116 | iabs = corr*iabs_rpa + inc |

1117 | |

1118 | //return the result |

1119 | return parameterWave[0]*iabs |

1120 | |

1121 | End |

1122 | |

1123 | //fitting function for the POL-AS standards |

1124 | // |

1125 | Function ASStandardFunction(parameterWave, x) |

1126 | Wave parameterWave; Variable x |

1127 | |

1128 | //Model parameters |

1129 | Variable KN=64.5,CH=1.0, CD=1.0, NH=766, ND=766 |

1130 | Variable INC=0.32, CHIV=0.0 |

1131 | |

1132 | //Local variables |

1133 | Variable AP2,QRGH,QRGD,IABS_RPA,IABS |

1134 | |

1135 | //Calculate the function here |

1136 | ap2=parameterWave[1]^2 |

1137 | qrgh = x*sqrt(nh*ap2/6) |

1138 | |

1139 | //The following lines were commented out in the fortran function |

1140 | //qrgd = x*sqrt(nd*ap2/6) |

1141 | //iabs_rpa = kn/(1/(ch*FIT_dbf(qrgh)) + 1/(cd*FIT_dbf(qrgd)) - chiv) |

1142 | |

1143 | iabs_rpa = kn*FIT_dbf(qrgh) |

1144 | iabs = iabs_rpa + inc |

1145 | |

1146 | //return the result |

1147 | return parameterWave[0]*iabs |

1148 | |

1149 | End |

1150 | |

1151 | //Debye Function used for polymer standards |

1152 | Function FIT_dbf(rgq) |

1153 | Variable rgq |

1154 | Variable x |

1155 | |

1156 | x=rgq*rgq |

1157 | if (x < 5.0E-3) |

1158 | return 1.0 - x/3 + x^2/12 |

1159 | else |

1160 | return 2*(exp(-x) + x - 1)/x^2 |

1161 | endif |

1162 | End |

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