This appendix lists the commands, buttons, fields and keys that the book uses, with the section that explains each. The labels are those of the X-Ray Calc build that the chapters describe. Commands the book does not use are left out.
The menus
File
Table B-1: The File menu.
| Command | What it does | Key | Explained in |
|---|---|---|---|
| Open project … | Opens a project, a .xrcx file. | F3 | Chapter 2: Opening a demo project |
| Save project | Saves the project: the structure with its limits and flags, the settings, the prepared data and the record of the last fit. | Ctrl+S | Chapter 23: What the program keeps, and what it doesn’t |
| Save project As … | Saves the project under a new name. The book keeps one project for each run. | F2 | Chapter 23: Keeping the files |
| Settings … | The program settings: the graphics card, the processor cores, automatic saving and the folders. | Chapter 8: How many points |
Project
Table B-2: The Project menu.
| Command | What it does | Key | Explained in |
|---|---|---|---|
| Duplicate Model | Copies the active model, to try a change or to keep the model from before a run. | Chapter 16: Several runs, and their spread |
Structure
Table B-3: The Structure menu.
| Command | What it does | Key | Explained in |
|---|---|---|---|
| Add Stack | Adds a stack at the bottom, above the substrate, and opens Stack properties. | Chapter 12: The periodic stack | |
| Insert Stack | Adds a stack above the selected one, as for the contamination layer. | Chapter 12: The top of the stack: contamination layer and cap | |
| Add Layer | Adds a layer at the bottom of the selected stack and opens Layer properties. | Chapter 12: The periodic stack | |
| Edit as text … | Shows the model as text, in which values and limits can be typed. | Chapter 12: The model as text | |
| Import structure … | Reads a model from a .json file into a new model. | Chapter 12: The model as text | |
| Undo | Takes back the last change of the structure. It does not undo a change of the data. | Ctrl+Z | Chapter 12: The model as text |
Data
Table B-4: The Data menu.
| Command | What it does | Key | Explained in |
|---|---|---|---|
| Load … | Loads a measured curve from an .xrdml or a text file. | Chapter 10: Two ways in: an .xrdml file or a text file | |
| From clipboard | Pastes a measured curve of two columns from the clipboard. | Chapter 10: Two ways in: an .xrdml file or a text file | |
| Normalize … | Divides the measured curve by a coefficient you enter. | Chapter 14: Setting the scale: Normalize (Auto) | |
| Normalize (Auto) | Scales the measured curve to the model at its largest value below θ = 0.5°. | Chapter 14: Setting the scale: Normalize (Auto) | |
| Smooth | Replaces each point by a six-point mean. The book leaves it off. | Chapter 14: Why smoothing stays off | |
| Trim | Deletes the measured points outside θ1–θ2. | Chapter 14: Trimming the data to the range | |
| Assess XRR quality … | Runs eight checks on the measurement. | Chapter 10: Is this curve worth fitting |
Calc
Table B-5: The Calc menu.
| Command | What it does | Key | Explained in |
|---|---|---|---|
| Run | Calculates the active model. The χ² appears in the Chart Info bar. | F5 | Chapter 2: Your first calculation |
| Calc all models | Calculates every model of the project. | F6 | Chapter 13: Doing it in X-Ray Calc |
| Auto Fitting | Opens the Fitting Limits dialog. Its Run button starts the fit. | F7 | Chapter 15: The Fitting Limits dialog |
| Resume Fitting | Opens the Fitting Limits dialog with Resume. The windows of the parameters that are not frozen move to the last result. | Chapter 19: Fitting in stages |
Result
Table B-6: The Result menu.
| Command | What it does | Key | Explained in |
|---|---|---|---|
| Save as graphics … | Saves a picture of the chart. | Chapter 23: Keeping the files | |
| Copy as BMP | Copies a picture of the chart to the clipboard. | Chapter 23: Keeping the files | |
| Export fit results… | Writes the record of the last fit as a .json file. | Chapter 23: What the program keeps, and what it doesn’t | |
| Fit report … | Shows the checks of a fit: the orders, the edge, the fringes, the bands and the parameters near a limit. | Chapter 18: Reading the checks in X-Ray Calc | |
| Residual strip > Show | Draws log₁₀(calculated / measured) in a strip under the chart. The items ±0.1 lines, Band means and Floored points of the same submenu add the warning level, the mean of each band and the points on the floor. All four are on by default. | Chapter 18: The residual by band |
Tools
Table B-7: The Tools menu.
| Command | What it does | Key | Explained in |
|---|---|---|---|
| Create new material … | Makes the table of a new material from elements or existing materials. | Appendix C: Adding a material | |
| Edit Henke table… | Shows the table of one material, with its bulk density and molar mass. | Appendix C: Checking a table |
Help
Table B-8: The Help menu.
| Command | What it does | Key | Explained in |
|---|---|---|---|
| User Manual | Opens the manual of the program. | F1 | Introduction: Beyond the Book |
Buttons and dialogs
Table B-9: Buttons and other controls.
| Control | Where | What it does | Explained in |
|---|---|---|---|
| Limits | the structure panel | Opens the Fitting Limits dialog with Save. | Chapter 15: The Fitting Limits dialog |
| the increment box | the structure toolbar | Sets the step of the arrows beside each field. | Chapter 13: Doing it in X-Ray Calc |
| the box after H, σ or ρ | each layer | Holds that parameter at one value in every period (Paired). | Chapter 17: Two ways to describe a stack |
| Freeze stack, Thaw stack | right-click on a stack | Freezes or releases every parameter of the stack. | Chapter 15: Freezing a parameter |
| Add extension | the Project panel toolbar | Adds an extension, such as a Function profile. | Chapter 22: A gradient in Polynomial mode |
| the delete button, hint “Delete item” | the Project panel toolbar | Deletes the selected item of the project. | Chapter 17: Reading a drift in X-Ray Calc |
| Calculate all | the chart toolbar | Calculates every model, as Calc all models does. | Chapter 13: Doing it in X-Ray Calc |
| Stop | the top of the chart, while a calculation or a fit runs | Ends the calculation or the fit. | Chapter 9: When the fit stops |
| Run, Resume, Save | the Fitting Limits dialog | Starts the fit, resumes it, or saves the limits, depending on how the dialog was opened. | Chapter 15: The Fitting Limits dialog |
| Initialize, Narrow, Widen, Fix | the Fitting Limits dialog | Sets the limits from the values and ΔH, Δσ, Δρ; narrows or widens them; repairs them. | Chapter 15: Generous limits |
| Freeze, Thaw | the Fitting Limits dialog | Holds the selected parameters at their values, or releases them. | Chapter 15: Freezing a parameter |
| Assess, Copy summary | the XRR quality window (Data > Assess XRR quality …) | Runs the checks, and copies their text. | Chapter 10: Is this curve worth fitting |
| Copy as text | the Fit report window | Copies the report as text. | Chapter 18: Reading the checks in X-Ray Calc |
| Thickness, Density | the pages under the chart | Draw the thickness or the density of every layer, period by period. | Chapter 17: Reading a drift in X-Ray Calc |
The settings, with their defaults
The default is the value in a new project. A project stores its own settings, so a project you open can differ.
Table B-10: The fit settings.
| Field | Default | This book | Explained in |
|---|---|---|---|
| Population | 100 | 5000; 2000 for a single film | Chapter 16: The settings, and the ones you change |
| Iterations | 100 | 200 | Chapter 16: The settings, and the ones you change |
| Shake | ticked | ticked | Chapter 9: Shakes: leaving a valley |
| SeedR | ticked | ticked | Chapter 9: The swarm |
| Mode | Irregular | Periodic, then Polynomial | Chapter 17: Two ways to describe a stack |
| Free period ± | unticked, 10 % | ticked, 10 % | Chapter 17: Step 1: one period, with the period free |
| Order | 1 | 1, raised one step at a time | Chapter 17: Raising the order |
| Smooth | unticked | off | Chapter 14: Why smoothing stays off |
| PW χ² | ticked | ticked | Chapter 9: What χ² measures |
| TW χ² | None | None | Chapter 9: What χ² measures |
| Solve scale in χ² | ticked | ticked | Chapter 14: Letting the fit solve the scale |
| Window | 0.2 | 0.2 | Chapter 14: Letting the fit solve the scale |
Table B-11: The calculation settings and other fields.
| Field | Default | This book | Explained in |
|---|---|---|---|
| 2θ | ticked | ticked | Chapter 2: 2θ or θ: the angle on your screen |
| λ(Å) | 1.54043 in a new project | from the .xrdml file, or typed in | Chapter 10: The wavelength comes from the file |
| Δθ | 0.015 in a new project | chosen by a scan | Chapter 16: Choosing Δθ by a scan |
| Polarization | s-type | s-type | Chapter 8: Polarization: s-type or sp-type |
| N (points) | 2000 | not used with a linked curve | Chapter 8: How many points |
| R min (Chart Info bar) | 10⁻⁷ | one count on the scaled curve | Chapter 14: The floor: one count |
| ΔH, Δσ, Δρ (Fitting Limits) | 0.25 | 0.25 | Chapter 15: Generous limits |
| Tolerance (Advanced fitting settings) | 0.005 | 0.005 | Chapter 9: When the fit stops |
| Vmax, Ksxr (Advanced fitting settings) | 0.3, 0.2 | 0.3, 0.2 | Chapter 9: The swarm |
| Jmax, SHmax, k1, k2 (Advanced fitting settings) | 1, 3, 1.41, 1.41 | the defaults | Chapter 9: Shakes: leaving a valley |
Keys and the mouse
Table B-12: The keys of X-Ray Calc, read from the program.
| Key | Command | Explained in |
|---|---|---|
| F1 | Help > User Manual | Introduction: Beyond the Book |
| F2 | File > Save project As … | Chapter 23: Keeping the files |
| F3 | File > Open project … | Chapter 2: Opening a demo project |
| Shift+F3 | Reopen (the Project panel button): reads the project again from its file | Chapter 2: Opening a demo project |
| F5 | Calc > Run | Chapter 2: Your first calculation |
| F6 | Calc > Calc all models | Chapter 13: Doing it in X-Ray Calc |
| F7 | Calc > Auto Fitting | Chapter 15: The Fitting Limits dialog |
| Ctrl+S | File > Save project | Chapter 23: What the program keeps, and what it doesn’t |
| Ctrl+Z | Structure > Undo | Chapter 12: The model as text |
| Insert | Structure > Insert Layer | Chapter 12: The periodic stack |
| Ctrl+Delete | Structure > Delete (the selected layer) | Chapter 12: The periodic stack |
| Ctrl+Shift+C | Structure > Copy Layer | Chapter 12: The periodic stack |
| Ctrl+Shift+X | Structure > Cut (the selected layer) | Chapter 12: The periodic stack |
| Ctrl+Shift+V | Structure > Paste (a layer) | Chapter 12: The periodic stack |
The mouse does the rest:
- Drag a box on the chart to zoom in. Double-click the chart to return to the full view (Chapter 11: The Chart Info bar).
- Double-click an item of the project, a stack or a layer to open its dialog (Chapter 2: Opening a demo project).
- Right-click a stack to freeze or release it (Chapter 15: Freezing a parameter).
- Press Enter after typing a limit or R min, so that the value is taken.
Sources
- The X-Ray Calc 3 source: the menus and their actions, the captions and the keys (
XRayCalc3\Forms\frm_Main.dfm, theTActionobjects with theirShortCutvalues); the Stop button at the top of the chart, shown only while a calculation or a fit runs (XRayCalc3\Views\frame_ChartInfo.dfm,btnStop;frm_Main.pas); the delete button of the Project panel (XRayCalc3\Views\frame_ProjectPanel.dfm, hint “Delete item”); the Residual strip submenu (frm_Main.dfm,mnuResidual), its four items on by default (XRayCalc3\Units\unit_Config.pas); the defaults of a new project (XRayCalc3\Views\frame_CalcSettings.dfm). Release 3.9.4.1250. The labels and defaults are those the chapters give, each checked in the chapter linked. - X-Ray Calc Help: Quick Reference (the toolbars, and the keyboard shortcuts: the same fourteen keys as Table B-12).
Cross-references: Chapter 2: The main window; Chapter 16: The settings, and the ones you change; Appendix A: Notation and Units; Appendix D: Glossary.