Crystallographica Search-Match
Реферат, 06 Мая 2013, автор: пользователь скрыл имя
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