Crystallographica Search-Match

Автор работы: Пользователь скрыл имя, 06 Мая 2013 в 16:23, реферат

Описание работы

The CSM template file controls the elements that are present in Word reports produced by CSM, as well as the appearance and layout of the document. Edit the Normal, Title, Heading1, Heading2 and Heading3 styles to match your house-style, and add appropriate letterheads, headers and footers and so forth.
CSM writes various sections of its report at the position of bookmarks below. (Choose Tools/Options/View and select Bookmarks to display bookmarks. Type Ctrl G and choose Bookmark in the ‘Goto what’ list to see a list of the bookmarks and their names). If a bookmark is not present in your template file, then the corresponding section of the report will be omitted.

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Crystallographica Search-Match

Example Template File


 

The CSM template file controls the elements that are present in Word reports produced by CSM, as well as the appearance and layout of the document. Edit the Normal, Title, Heading1, Heading2 and Heading3 styles to match your house-style, and add appropriate letterheads, headers and footers and so forth.

CSM writes various sections of its report at the position of bookmarks below. (Choose Tools/Options/View and select Bookmarks to display bookmarks. Type Ctrl G and choose Bookmark in the ‘Goto what’ list to see a list of the bookmarks and their names). If a bookmark is not present in your template file, then the corresponding section of the report will be omitted.

Section of Report

Corresponding Bookmark Name

Title

Title

Sample / Data Information

SampleData

Search-Match

SearchMatch

Peak List

PeakList

Card Retrieval

CardRetrieval

Graph

Graph


Table of Report Sections and Corresponding Word Bookmarks

You may edit this file (which is Templates\SearchMatch.dot in your CSM installation directory) or create others like it. Use the Report Settings dialog to select the template file.

Below this point are the bookmarks…

SearchMatch1

Crystallographica Search-Match Version 2, 0, 3, 1

Copyright © 1996-1999, Oxford Cryosystems

Report Compiled at 10:15 Monday, December 17, 2012

 

Search-Match

Settings

Search Range

4 to 56

Data Source

Raw data

Trust Intensities

Yes

Allow Zero Errors

No

Figure of Merit

Multi-phase

Apply Restrictions

No


 

Matched Materials

A Polyethylene glycol

Formula

( C2 H4 O )n ( C H2 O H )2

Pdf Number

50-2158

Figure of Merit

58%

Total Peaks

9

Peaks Matched

7

New Matches

7

Strong Unmatched

0

Peak Shift

0

Scale Factor

1.20459

Concentration

Not available


Peak List

Peak Search Settings

Confidence Threshold

90%

Matched / Total

4 / 6


 

List of Peaks

2-Theta

D-Spacing

Intensity

Width

Confidence

Matches

13.406

6.5994

42

0.199

100%

 

19.033

4.6590

383

0.210

100%

A

23.213

3.8286

374

0.328

100%

A

27.129

3.2843

161

0.204

100%

A

27.787

3.2079

24

0.290

94.0%

A

30.738

2.9064

26

0.205

99.1%

 

Card Retrieval

Restrictions

No restrictions applied.

Search Results

The search found 136895 matching cards.

Graphics

This is the end of the template file


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