format of FULLPROF output files #52

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2023-02-20T11:54:30+01:00

usov_i commented

2023-02-20 11:54:30 +01:00

(Migrated from gitlab.psi.ch)

Created by: rsibille-psi

In .comm files exported from the 'ccl integrate' and 'ccl compare' tabs, the first column (a label for the number of the reflection in the file) should start from 1 instead of 0 at the moment.

*Created by: rsibille-psi* In .comm files exported from the 'ccl integrate' and 'ccl compare' tabs, the first column (a label for the number of the reflection in the file) should start from 1 instead of 0 at the moment.

usov_i commented

2023-02-20 16:29:41 +01:00

(Migrated from gitlab.psi.ch)

Created by: ivan-usov

Hi @rsibille-psi , I can see that the first column in .comm files is a scan number taken from ccl/dat files and it starts from 1, i.e.:

.comm file:
     1   2  -2   1  11820.35    359.14   32.61   16.31  117.95  168.97
     2   2   0   1   9211.22    260.99   32.61   16.31  141.03   98.15
     3   0  -2   1  10319.26    410.16   32.61   16.31  158.89 -155.78
     4   3  -2   0   5727.40    133.91   34.83   17.42  102.89    6.85
     5   3  -1   0   5226.74     95.06   34.83   17.42  121.19   41.85

Where is that label for the number of the reflection in the file?

*Created by: ivan-usov* Hi @rsibille-psi , I can see that the first column in .comm files is a scan number taken from ccl/dat files and it starts from 1, i.e.: ``` .comm file: 1 2 -2 1 11820.35 359.14 32.61 16.31 117.95 168.97 2 2 0 1 9211.22 260.99 32.61 16.31 141.03 98.15 3 0 -2 1 10319.26 410.16 32.61 16.31 158.89 -155.78 4 3 -2 0 5727.40 133.91 34.83 17.42 102.89 6.85 5 3 -1 0 5226.74 95.06 34.83 17.42 121.19 41.85 ``` Where is that label for the number of the reflection in the file?

usov_i commented

2023-03-01 15:24:48 +01:00

(Migrated from gitlab.psi.ch)

Created by: rsibille-psi

Hi Ivan,

Yes it seems that this has changed last year with Nicos, so that now the scan number in ccl files starts from 0 (python...) while it started with 1 for files generated by SICS.
Our suggestion is that, if a scan number is zero, pyzebra should just change that 0 and write a 1, without renumbering the entire series.
Thanks.

Best wishes,

Romain

*Created by: rsibille-psi* Hi Ivan, Yes it seems that this has changed last year with Nicos, so that now the scan number in ccl files starts from 0 (python...) while it started with 1 for files generated by SICS. Our suggestion is that, if a scan number is zero, pyzebra should just change that 0 and write a 1, without renumbering the entire series. Thanks. Best wishes, Romain

usov_i commented

2023-03-02 11:55:04 +01:00

(Migrated from gitlab.psi.ch)

Created by: ivan-usov

The test server should contain a fix now, so if the scan number in a ccl file starts from 0, it's index during processing will be changed to 1 (it basically means that there will always be two scans with an index 1 in such cases).

I though to wait for #51 to be fixed fully before updating the main server, but let me know if it will take longer, so we can do it maybe already now.

*Created by: ivan-usov* The test server should contain a fix now, so if the scan number in a ccl file starts from 0, it's index during processing will be changed to 1 (it basically means that there will always be two scans with an index 1 in such cases). I though to wait for #51 to be fixed fully before updating the main server, but let me know if it will take longer, so we can do it maybe already now.

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Reference: zebra/pyzebra#52