Main window

When you launch the software, the screen shown below appears. The main window consists of the central profile drawing area, the menu bar and toolbar (function list) at the top, the tab menu near the top (Horizontal Axis / Appearance & Single/Multi Profile), the profile list at the upper right, and the crystal list at the lower right.

Profile drawing area

This area occupies most of the window and displays the profiles checked in the profile list. When a crystal is selected in the crystal list, diffraction lines are also drawn at the positions of the diffraction peaks.

Mouse operations

Operation	Action
Left drag	Move diffraction lines (change the lattice constants of the crystal)
Right drag	Zoom in
Right click	Zoom out
Middle drag	Pan the view

The drawing ranges of the horizontal and vertical axes can be changed by typing values directly into the numeric boxes above the drawing area (2θ:, d:, Int.:, q:, etc., whose labels depend on the selected horizontal-axis mode).

Tip

The horizontal-axis display mode (angle, energy, d-spacing, etc.) is switched on the Horizontal Axis tab. This is a display-only setting and does not modify the profile's own horizontal-axis data.

Toolbar (function list)

Each button on the toolbar toggles a dedicated analysis window.

Button	Function	See
Crystal Parameter (C)	Toggle the Crystal Parameter window.	Crystal parameter
Profile Parameter (P)	Toggle the Profile Parameter window.	Profile parameter
Equation of State (E)	Toggle the Equation of State window to estimate pressure from the cell volume of a standard material.	Equation of states
Fitting Diffraction Peaks (F)	Toggle the Peak Fitting window to fit diffraction peaks (position, FWHM, intensity).	Fitting diffraction peaks
Cell Finder	Toggle the Cell Finder window to search lattice constants from peak positions.	—
Sequential Analysis	Toggle the Sequential Analysis window for batch processing of a file series.	Sequential analysis
Atomic Position Finder	Toggle the Atomic Position Finder window to search atomic positions from diffraction intensities.	—
LPO Analysis	Toggle the LPO (lattice-preferred orientation) Analysis window.	—

Note

The main windows can also be toggled with keyboard shortcuts: Ctrl+Shift+C (Crystal Parameter), Ctrl+Shift+E (Equation of States), Ctrl+Shift+F (Fitting Parameter), and Ctrl+Shift+D (change peak mode).

Menu bar

File

Item	Description
Read profile(s)	Read profile data. In addition to this software's own pdi / pdi2 format, you can read the WinPIP output csv, the Fit2D output chi, and so on. Most files stored as angle-intensity text can also be read.
Save profile(s)	Save all loaded profiles in this software's pdi2 format.
Export the selected profile(s)	Export the selected profile(s) as a comma-separated (CSV), tab-separated (TSV), or GSAS (Rietveld) data file.
Load crystals (as a new list)	Load a crystal list file (extension xml). The current crystal list is discarded.
Load crystals (and add to the present list)	Load a crystal list file (extension xml) and append it to the end of the current crystal list.
Save crystals	Save the current crystal list to a file (extension xml).
Import CIF, AMC...	Import a structure data file in cif or amc format and add it to the current crystal list.
Export the selected crystal to CIF	Save the selected crystal as a cif-format structure data file.
Revert crystals to the initial state	Revert the crystal list to the initial (default) state.
Page Setup	Open the page setup dialog for printing.
Print Preview	Show a print preview of the profile viewer.
Print	Print. The print range is the current angle and intensity range.
Copy to Clipboard	Copy the currently drawn profile to the clipboard as bitmap data or metafile (vector) data.
Save as Metafile	Save the currently drawn profile in metafile format. The EMF (Enhanced Meta File) format is supported, and the saved *.emf files can be opened in PowerPoint and Word.
Close	Close PDIndexer.

Option

Item	Description
Tool Tip	When checked, displays the tooltips on the main window.
Watch Clipboard	Watch the clipboard and automatically import profile/crystal data copied from other apps (e.g. IPAnalyzer).
Watch File	Watch a specified folder and automatically read newly created .pdi profile files. Choose the folder to watch from the selection dialog or by typing the path directly.
Clear Registry (check and restart)	When checked, clear all saved settings from the registry on exit (restart to reset).
Save the crystal list when closing	When checked, automatically save the crystal list on exit and reload it on startup.

Macro

Editor opens the macro editor window. For details of the PDIndexer macro feature, see Macro.

Help

Item	Description
About Me	Show the copyright, version and author information, and the version history.
Program Updates	Check online for a newer version and, if available, download/install it.
Hint	Show usage hints (deprecated).
Help (web)	Show this manual.

Language

Switch the UI language. Currently English (English (need restart)) and Japanese (Japanese (need restart)) are supported. A restart is required after switching.

Horizontal Axis tab

The Horizontal Axis tab sets the display mode of the axis. The settings here are display-only and are unrelated to the actual horizontal-axis data (the actual horizontal-axis information can be changed from the Profile parameter). Because of this, you can align the horizontal axis for comparison even when different X-ray sources were used. For example, even if the loaded profile was acquired with the Cu Kα line, it can be displayed as if it had been acquired at the wavelength of the Mo Kα line.

Item	Description
After reading profile, change horizontal axis	When checked, automatically aligns the horizontal-axis settings to those of the newly loaded profile.
2θ (degree)	Set the horizontal axis to angle. Choosing the X-ray radio button gives the scattering angle for X-rays; select a characteristic X-ray source or Custom from the drop-down list and specify the wavelength. Choosing the Electron radio button gives the scattering angle for electrons; specifying the accelerating voltage computes the relativistically corrected wavelength.
Energy (eV)	Set the horizontal axis to energy (unit eV). This corresponds to an X-ray diffraction experiment using an EDX detector. Set the EDX take-off angle appropriately.
d-spacing (Å)	Set the horizontal axis to d-spacing (lattice-plane spacing).
q	Set the horizontal axis to the magnitude of the scattering vector \( q \).

The relationship between the scattering angle and the d-spacing is given by Bragg's law, with \( \lambda \) the wavelength:

\[ 2 d \sin\theta = n \lambda \]

Appearance & Single/Multi Profile tab

The Appearance & Single/Multi Profile tab configures the drawing appearance and the single/multi profile display.

Scale and color settings

Item	Description
Scale Line	Select whether to display the scale (grid) lines.
Error bar	Display error bars when the data contain error information.
Color	Set the display colors, such as Back Color, Scale Line, and Scale Text.

Single/Multi Profile

The mode that is checked is the current mode.

Item	Description
Single Profile	Single-profile mode. When a profile is loaded, or sent from IPAnalyzer via the clipboard, the old profile is deleted and the new profile is drawn.
Multi Profiles	Multi-profile mode. New profiles are loaded and overlaid on top of the existing ones.
Increasing intensity by a profile	Sets the intensity offset between data when overlaying multiple data sets. This is only to keep the display legible; the actual data are not modified.
Change automatically color	When checked, automatically changes the drawing color of the profiles.

Vertical Axis

Specify whether to display the vertical axis (intensity) as raw counts (Raw Counts) or as counts per step (Count per Step (CPS)). You can also specify whether to display the vertical axis on a linear (Linearity) or logarithmic (Logarithm) scale.

Profile list

Displays and selects the loaded profiles. It is disabled in Single Profile mode.

In multi-profile mode, the loaded profiles are shown as a list, and only the checked ones are drawn in the central drawing area. More detailed profile settings are made by checking the Profile Parameter checkbox at the bottom of the box (see Profile parameter).

Crystal list

Displays and configures the list of crystals. Checking an entry draws diffraction lines at the positions of the diffraction peaks. By default, about 80 crystals are pre-registered.

Special rows

• The first row (row 0) is the Flexible Crystal (cyan background), used for drawing arbitrary diffraction lines.
• The upper rows (pink background, e.g. NaCl EOS and Pt EOS) are reserved as standard materials for equation-of-state (EOS) calculations.

More detailed crystal settings are made by checking the Crystal Parameter (C) checkbox at the bottom of the box (see Crystal parameter). Check/Uncheck all checks or unchecks the entire crystal list at once.