3/26/2019 How to process XRD files in EVA | MyScope

MyScope XRD X-ray diffraction in practice

Step-by-step procedures Process XRD files How to process
XRD files in EVA

Open the file

From the Desktop click on EVA.

Click the following controls:

1. File
2. Import
3. Scan File
4. ro-data (\\cmmdata.cmm.uq.edu.au)
5. B2
6. Year
7. Month\Year
8. Your folder
9. Your file

Perform a peak search

1. In Toolbox, under SCAN (top left).
2. Click on Peak Search (bottom, second box of first row).
3. Move Toggle (bottom left) to adjust peak search sensitivity.
4. Append to list (bottom right) assigns d-spacings for peaks.

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Search match
Along row of icons (top of page, under EVA main menu)

Click on middle blue icon with binoculars (Search Match).

Choose parameters for search:

Criterion
1: Favor Simple Patterns
The value 1 favours simple reference patterns. A candidate with only 1 line in the
unknown area, shared, may rank before one with many lines, most shared. Patterns with
only a few lines are often false identifications. To analyse an unknown scan, start with a
value of 2, then use 1. This criterion is not meaningful when searching on a pattern.

2: Neutral
The value 2 is an attempt to be “neutral.” For example: a 50/50 mixture of silicon and
feldspar. This criterion was devised to give balanced chances to both. As a rule, always
start with this criterion set when analysing an unknown scan.

3: Favor Complex Patterns

The value 3 favors patterns sharing many lines with the unknown. Therefore, it favours
complex reference patterns and is “unfair” to reference patterns with only a few lines.

Quality marks
* High Quality

C Computed from structure parameters

I Good quality/Indexed

Q Questionable quality; has not reached the requirements for I

N Not specified; has not reached the requirements for Q

D Deleted; as a rule, patterns flagged as deleted should not be used

because they are replaced by a better pattern.
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A Alternate; duplicate pattern

It’s recommended that you choose the first three quality marks.

Subfiles
Inorganic
Organic
Dual
Mineral

Choose appropriate subfile for your sample.

Sub-set of sub-files
Exp. + Struct High Quality

Experimental Computed from structure parameters

Structure Good quality/Indexed

Chemical filter
The periodic table allows you to set up a chemical filter by setting elements to 3 different
states:

1. Definitely Absent (Maroon)

2. Definitely Present (Green)
3. Present or absent (Gray)

Tick the box for Toggle All.

Select H (Hydrogen). All elements will be selected and coloured maroon. This means that
all these elements are Definitely Absent (Maroon).

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Start with the elements suspected to be present in the major phase in the sample. Select
each element until it is coloured green. For example, choose Ca, C & O. This means that
the search will only include minerals with Ca, C & O [Definitely Present (Green)] and will
exclude all other elements.

Main database
Master- the whole database
Subsets of the database:
Mineral
Zeolite

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Ceramic
Corrosion

Search match (steps continued)

Then click on Search (bottom right).

Go through the list of possible matches. Tick the left blue box for the best ones.

To look at individual PDF cards, highlight card of interest then click on CD-ROM icon on
left side of Toolbox.
File, print if you wish to have a hardcopy of card.
HP Laserjet 3030 PCL6 (printer located near entrance)

To print your trace

In EVA
File
Print Preview
Setup- Landscape
Setup- Printer
HP Laserjet 3030 PCL6 (printer located near entrance)- for black & white trace
BSAF Laser Jet prints to Barry's printer- for black & white trace
Choose HP Deskjet 970CI (prints next to B1 computer) if you want trace to be coloured.

To export trace to Word

In EVA
File
Print Preview
Setup- Landscape
Setup- Printer
HP Laserjet 3030 PCL6 (printer located near entrance)- for black & white trace
BSAF Laser Jet prints to Barry's printer- for black & white trace
Choose HP Deskjet 970CI (prints next to B1 computer) if you want trace to be coloured.
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Click on Copy Picture to Clipboard.

Open Word
File
Page Setup
Landscape
Edit
Paste
Save as.

To send files to yourself by email:

Click on Winzip.
Use evaluation version.
New.
Create new archive in folder location of your choice.
Browse to location of files you need.
Add.
Close.
In Internet Explorer click on my.UQ to access your email account.
Attach zip file and send to your email address.

Convert files to another format ▶

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Page modified March 21, 2014 •

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