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ozerov_d
2023-08-31 10:10:53 +02:00
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README.md
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@ -111,13 +111,13 @@ this file contains indexing parameters used by crystfel.
>
> lyso.cell hewl.cell
**HINT** - in case there are several space group at which protein can be indexed, it's possible to run automatically indexing in the *alternative* space group. To do this - provide an alternative space group settings in the file <cell_name>.cell_alternative. Example:
**HINT** - in case there are several space group at which protein can be indexed, it's possible to run automatically indexing in the *alternative* space group. To do this - provide an alternative space group settings in the file <cell_name>.cell_alternative. Example:
> $ ls res/ap/CELL
>
> lyso.cell chim.cell chim.cell_alternative
> $ ls res/ap/CELL
>
> lyso.cell chim.cell chim.cell_alternative
runs with the <cell_name>=lyso will be indexed using lyso.cell file, while for the <cell_name>=chim - indexing will be done twice, using chim.cell and chim.cell_alternative files (and results of both indexing will be filled in logbook)
runs with the <cell_name>=lyso will be indexed using lyso.cell file, while for the <cell_name>=chim - indexing will be done twice, using chim.cell and chim.cell_alternative files (and results of both indexing will be filled in logbook)
* create (an empty) google spreadsheet
@ -153,6 +153,9 @@ this file contains indexing parameters used by crystfel.
* compression: True
* factor: Value (0.25 to round to 250eV or photon beam energy to make output in photon counts)
Important:
* geometry: False (that's the usual choice, module-to-module adjustment is made then with crystfel geometry file. Choice of the value should be aligned with the geometry file used)
* login to swissfel online computing infrastructure with your personal PSI account:
> $ ssh psi_account@sf-l-001