Changeset 6af2785 in sasview for src/sas/perspectives
- Timestamp:
- Jun 4, 2015 10:45:47 AM (10 years ago)
- Branches:
- master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, release_4.0.1, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload
- Children:
- be0c318
- Parents:
- 9d5427f
- File:
-
- 1 edited
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src/sas/perspectives/fitting/media/fitting_help.rst
rb5846a10 r6af2785 258 258 * Nelder-Mead Simplex 259 259 260 The DREAM optimiser is the most sophisticated, but may not necessarily be the best 261 option for fitting simple models. If uncertain, try the Levenberg-Marquardt optimiser 262 initially. 263 260 264 These optimisers form the *Bumps* package written by P Kienzle. For more information 261 265 on each optimiser, see the :ref:`Fitting_Documentation`. … … 309 313 310 314 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 315 316 .. _Single_Fit_Mode: 311 317 312 318 Single Fit Mode … … 366 372 *the Data Explorer is checked (see the section* :ref:`Loading_data` *).* 367 373 368 This mode is an extension of the :ref:`Single Fit Mode` that fits two or more data374 This mode is an extension of the :ref:`Single_Fit_Mode` that fits two or more data 369 375 sets *to the same model* simultaneously. If necessary it is possible to constrain 370 376 fit parameters between data sets (eg, to fix a background level, or radius, etc). … … 374 380 load that file, *Unselect All Data*, select just those data sets to be fitted, and 375 381 *Send To Fitting*. Either way, the result should be that for *n* data sets you have 376 2 *n* graphs (*n* of the data and model fit, and *n* of the resulting residuals). But382 2\ *n* graphs (*n* of the data and model fit, and *n* of the resulting residuals). But 377 383 it may be helpful to minimise the residuals plots for clarity. 378 384 379 385 *NB: If you need to use a customized model, you must ensure that model is available* 380 386 *first (see* :ref:`Adding_your_own_models` *).* 387 388 Method 389 ^^^^^^ 381 390 382 391 Now go to each *FitPage* in turn and: … … 413 422 414 423 Note that the chi2/Npts value returned is the SUM of the chi2/Npts of each fit. To 415 the chi2/Npts value for a specific *FitPage*, click the *Compute* button at the424 see the chi2/Npts value for a specific *FitPage*, click the *Compute* button at the 416 425 bottom of that *FitPage* to recalculate. 417 426 … … 422 431 up constraints between *FitPage*'s. 423 432 424 Constraints will generally be of the form Mi Parameter1 = Mj.Parameter1, however 425 the text box after the '=' sign can be used to adjust this relationship; for 426 example Mi Parameter1 = scalar*Mj.Parameter1. A 'free-form' constraint box is 427 also provided. 433 Constraints will generally be of the form 434 435 Mi Parameter1 = Mj.Parameter1 436 437 however the text box after the '=' sign can be used to adjust this 438 relationship; for example 439 440 Mi Parameter1 = scalar \* Mj.Parameter1 441 442 A 'free-form' constraint box is also provided. 428 443 429 444 Many constraints can be entered for a single fit. … … 433 448 434 449 Note that the chi2/Npts value returned is the SUM of the chi2/Npts of each fit. To 435 the chi2/Npts value for a specific *FitPage*, click the *Compute* button at the450 see the chi2/Npts value for a specific *FitPage*, click the *Compute* button at the 436 451 bottom of that *FitPage* to recalculate. 437 452 … … 441 456 -------------- 442 457 443 *NB: Before proceeding, ensure that the Batch Mode radio button at the bottom of* 444 *the Data Explorer is checked (see the section* :ref:`Loading_data` *).* 445 446 Batch Fit 447 ^^^^^^^^^ 448 449 Create a *Batch Page* by selecting the *Batch* radio button on the DataExplorer 450 (see figure below) and for a new control page select 'New FitPage' in the 451 Fitting menubar. 458 *NB: Before proceeding, ensure that the Single Mode radio button at the bottom of* 459 *the Data Explorer is checked (see the section* :ref:`Loading_data` *). The Batch* 460 *Mode button will be used later on!* 461 462 This mode *sequentially* fits two or more data sets *to the same model*. Unlike in 463 simultaneous fitting, in batch fitting it is not possible to constrain fit parameters 464 between data sets. 465 466 If the data to be fit are in multiple files, load each file in the *Data Explorer*. 467 If multiple data sets are in one file, load just that file. *Unselect All Data*, then 468 select a single initial data set to be fitted. Fit that selected data set as described 469 above under :ref:`Single_Fit_Mode` . 470 471 *NB: If you need to use a customized model, you must ensure that model is available* 472 *first (see* :ref:`Adding_your_own_models` *).* 473 474 Method 475 ^^^^^^ 476 477 Now *Select All Data* in the *Data Explorer*, check the *Batch Mode* radio button 478 at the bottom of that panel and *Send To Fitting*. A *BatchPage* will be created. 452 479 453 480 .. image:: batch_button_area.bmp 454 481 455 Figure 1: MenuBar: 456 457 Load Data to the DataExplorer if not already loaded. 458 459 Select one or more data sets by checking the check boxes, and then make sure 460 that "Fitting" is selected in the dropdown menu next to the "Send To" button. 461 Once ready, click the 'Send To' button to set data to a BatchPage. If already 462 an empty batch page exists, it will be set there. Otherwise it will create a 463 new Batch Page. Set up the model and the parameter values as same as a single 464 fitting (see Single Fit help). Then use 'Fit' button to 465 perform the fitting. 466 467 Unlike a single fit, the results of the fittings will not return to the 468 BatchPage'. Instead, a Grid window will be provided once the fitting is 469 completed. The Grid window is also accessible from the 'View' menu 470 (see Figure 2). 471 472 Note that only one model is used for all the data. The initial parameter 473 values given in the control page will be used all the data fittings. If one 474 wants the FitEngine to use the initial values from the results of the 475 previous data fitting (if any), choose the 'Chain Fitting' option in the 476 Fitting menubar, which will speed up the fitting especially when you have 477 lots of, and similar, data sets. 478 479 Batch Window 480 ^^^^^^^^^^^^ 481 Batch Window provides an easy way to view the fit results, i.e., plot data, 482 fits, and residuals. Batch window will be automatically shown after a batch 483 fit is finished. 484 485 Once closed, it can be opened anytime from the "View" menubar item (see 486 Figure 2). 482 *NB: The Batch Page can also be created by checking the Batch Mode radio button* 483 *and selecting New Fit Page under Fitting in the menu bar.* 484 485 Using the drop-down menus in the *BatchPage*, now set up the *same* data set 486 with the *same* model that you just fitted in single fit mode. A quick way to 487 set the model parameter values is to just copy them from the earlier Single 488 Fit. To do this, go back to the Single Fit *FitPage*, select *Copy Params* 489 under *Edit* in the menu bar, then go back to the *BatchPage* and *Paste Params*. 490 491 When ready, use the *Fit* button on the *BatchPage* to perform the fitting, NOT 492 the *Fit* button on the individual *FitPage*'s. 493 494 Unlike in single fit mode, the results of batch fits are not returned to 495 the *BatchPage*. Instead, a spreadsheet-like :ref:`Grid_Window` will appear. 496 497 If you want to visually check a graph of a particular fit, click on the name of 498 a *Data set* in the *Grid Window* and then click the *View Fits* button. The 499 data and the model fit will be displayed. If you select mutliple data sets they 500 will all appear on one graph. 501 502 .. image:: view_button.bmp 503 504 *NB: In theory, returning to the BatchPage and changing the name of the I(Q)* 505 *data source should also work, but at the moment whilst this does change the* 506 *data set displayed it always superimposes the 'theory' corresponding to the* 507 *starting parameters.* 508 509 If you select a 'Chi2' value and click the *View Fits* button a graph of the 510 residuals for that data set is displayed. Again, if you select multiple 'Chi2' 511 values then all the residuals data will appear on one graph. 512 513 Chain Fitting 514 ^^^^^^^^^^^^^ 515 516 By default, the *same* parameter values copied from the initial single fit into 517 the *BatchPage* will be used as the starting parameters for all batch fits. It 518 is, however, possible to get *SasView* to use the results of a fit to a preceding 519 data set as the starting parameters for the next fit in the sequence. This 520 variation of batch fitting is called *Chain Fitting*, and will considerably speed 521 up model-fitting if you have lots of very similar data sets where a few parameters 522 are gradually changing. Do not use chain fitting on disparate data sets. 523 524 To use chain fitting, select *Chain Fitting* under *Fitting* in the menu bar. It 525 toggles on/off, so selecting it again will switch back to normal batch fitting. 526 527 .. _Grid_Window: 528 529 Grid Window 530 ^^^^^^^^^^^ 531 532 The *Grid Window* provides an easy way to view the results from batch fitting. 533 It will be displayed automatically when a batch fit completes, but may be 534 opened at any time by selecting *Show Grid Window* under *View* in the menu 535 bar. 487 536 488 537 .. image:: restore_batch_window.bmp 489 538 490 Figure 2: Edit Menu: 491 492 Edit Grid 493 ^^^^^^^^^ 494 495 Once a batch fit is completed, all fitted and fixed model parameters are 496 displayed to the current sheet of the batch window except the errors of the 497 parameters. To view the errors, click on a given column then under *Edit* 498 menubar item, and insert the desired parameter by selecting a menu item with 499 the appropriated label. Empty column can be inserted in the same way. A 500 column value can be customized by editing an existing empty column. 501 502 To Remove column from the grid, select it, choose edit menu, and click the 503 *'remove'* menu item. Any removed column should reinserted whenever needed. 504 505 All above options are also available when right clicking on a given column 506 label(see Figure 3). 507 508 *Note:* A column always needs to be selected in order to remove or insert a 509 column in the grid. 539 Once a batch fit is completed, all model parameters are displayed but *not* 540 their uncertainties. To view the uncertainties, click on a given column then 541 go to *Edit* in the menu bar, select *Insert Column Before* and choose the 542 required data from the list. An empty column can be inserted in the same way. 543 544 To remove a column from the grid, click on the column header and choose 545 *Remove Column* under *Edit* in the menu bar. The same functionality also 546 allows you to re-order columns. 547 548 *NB: You cannot insert/remove/re-order the rows in the Grid Window.* 549 550 All of the above functions are also available by right-clicking on a column 551 label. 510 552 511 553 .. image:: edit_menu.bmp 512 554 513 Figure 3: Edit Menu: 514 515 Save Grid 516 ^^^^^^^^^ 517 To save the current page on the batch window, select the *'File'* menubar 518 item(see Figure 4), then choose the *'Save as'* menu item to save it as a 519 .csv file. 520 521 *Note:* The grid doesn't save the data array, fits, and the array residuals. 522 As a result, the 'View (fit) Results' functionality will be lost when 523 reloading the saved file. 524 525 Warning! To ensure accuracy of saved fit results, it is recommended to save 526 the current grid before modifying it . 527 528 Open Batch Results 529 ^^^^^^^^^^^^^^^^^^ 530 531 Any *csv* file can be opened in the grid by selecting the *'Open'* under 532 the *'File'* menu in the Grid Window(see Figure 4). All columns in the file 533 will be displayed but insertion will not available. Insertion will be 534 available only when at least one column will be removed from the grid. 555 *NB: If there is an existing Grid Window and another batch fit is performed,* 556 *an additional 'Table' tab will be added to the Grid Window.* 557 558 The parameter values in the *currently selected* table of the *Grid Window* 559 can be output to a CSV file by choosing *Save As* under *File* in the (*Grid* 560 *Window*) menu bar. The default filename includes the date and time that the 561 batch fit was performed. 562 563 Saved CSV files can be reloaded by choosing *Open* under *File* in the *Grid* 564 *Window* menu bar. The loaded parameters will appear in a new table tab. 535 565 536 566 .. image:: file_menu.bmp 537 567 538 Figure 4: MenuBar: 539 540 Plot 541 ^^^^ 542 543 To *plot* a column versus another, select one column at the time, click the 544 *'Add'* button next to the text control of X/Y -axis *Selection Range* to 545 plot the value of this column on the X/Y axis. Alternatively, all available 546 range can be selected by clicking the column letter (eg. B). Repeat the same 547 procedure the next axis. Finally, click the *'Plot'* button. When clicking 548 on *Add* button, the grid will automatically fill the axis label, but 549 different labels and units can be entered in the correct controls before 550 clicking on the plot button. 551 552 *X/Y -Axis Selection Range* can be edited manually. These text controls 553 allow the following types of expression (operation can be + - * /, or pow) 568 *NB: Saving the Grid Window does not save any experimental data, residuals* 569 *or actual model fits. Consequently if you reload a saved CSV file the* 570 *ability to View Fits will be lost.* 571 572 Parameter Plots 573 ^^^^^^^^^^^^^^^ 574 575 Any column of *numeric* parameter values can be plotted against another using 576 the *Grid Window*. Simply select one column at the time and click the *Add* 577 button next to the required *X/Y-axis Selection Range* text box. When both 578 the X and Y axis boxes have been completed, click the *Plot* button. 579 580 When the *Add* button is clicked, *SasView* also automatically completes the 581 *X/Y-axis Label* text box with the heading from Row 1 of the selected table, 582 but different labels and units can be entered manually. 583 584 .. image:: plot_button.bmp 585 586 The *X/Y-axis Selection Range* can be edited manually. The text control box 587 recognises the operators +, -, \*, /, or 'pow', and allows the following 588 types of expression : 554 589 555 1) if the current axis label range is a function of 1 or more columns, write 556 this type of expression 557 558 constant1 * column_name1 [minimum row index : maximum row index] operator 559 constant2 * column_name2 [minimum row index : maximum row index] 560 561 Example: radius [2 : 5] -3 * scale [2 : 5] 562 563 2) if only some values of a given column are need but the range between the 564 first row and the last row used is not continuous, write the following 565 expression in the text control 566 567 column_name1 [minimum row index1 : maximum row index1] , column_name1 568 [minimum row index2 : maximum row index2] 569 570 Example : radius [2 : 5] , radius [10 : 25] 571 572 Note: Both text controls ( X and Y-axis Selection Ranges) need to be filled 573 with valid entries for plotting to work. The dY-bar is optional (see Figure 5). 574 575 .. image:: plot_button.bmp 576 577 Figure 5: Plotting 578 579 View Column/Cell(s) 580 ^^^^^^^^^^^^^^^^^^^ 581 582 Select 1 or more cells from the same column, click the 'View Fits' button to 583 display available curves. 584 585 For example, select the cells of the 'Chi2' column, then click the 'View Fits' 586 button. The plots generates will represent the residuals plots. 587 588 If you select any cells of the 'Data' column and click the 'View Fits' button. 589 It generates both data and fits in the graph (see Figure 6). 590 591 Alternatively, just click the column letter (eg. B) to choose all the 592 available data sets, then simply click the 'View Fits' button to plot the 593 data and fits. 594 595 .. image:: view_button.bmp 596 597 Figure 6: View Fits 598 599 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 590 1) if an axis label range is a function of 1 or more *columns*, write 591 this type of expression 592 593 constant1 * column_name1 [minimum row index : maximum row index] 594 operator constant2 * column_name2 [minimum row index : maximum row index] 595 596 Example: radius [2 : 5] -3 * scale [2 : 5] 597 598 2) if only some *values* of a given column are needed but the range between 599 the first row and the last row used is not continuous, write this type of 600 expression 601 602 column_name1 [minimum row index1 : maximum row index1] , column_name1 603 [minimum row index2 : maximum row index2] 604 605 Example: radius [2 : 5] , radius [10 : 25] 606 607 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 608 609 .. note:: This help document was last changed by Steve King, 04Jun2015
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