From c790457eec532c2b57fdbaf273ee542aa53a8db8 Mon Sep 17 00:00:00 2001 From: ozerov_d Date: Thu, 31 Aug 2023 10:10:53 +0200 Subject: [PATCH] Update README.md --- README.md | 13 ++++++++----- 1 file changed, 8 insertions(+), 5 deletions(-) diff --git a/README.md b/README.md index d554f26..f5e54f6 100644 --- a/README.md +++ b/README.md @@ -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_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_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 =lyso will be indexed using lyso.cell file, while for the =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 =lyso will be indexed using lyso.cell file, while for the =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