MOSFLM

Manual                     Running Mosflm                     Strategy                     Scaling & Merging              

Manual

See the following link for the latest up-to-date version of the MOSFLM User Guide and the online version of the MOSFLM help.

A MOSFLM keyword search and other useful information can be found on the following links:

common problems in running MOSFLM and frequently asked questions.

Running Mosflm

MOSFLM can be executed on either bm16process1 or bm16process2 by typing mosflm at the command prompt and inputting the mosflm input file which is automatically written in the process sub-directory created by MxCube.

%mosflm < process/mosflm_bm16_SeMet_run2_1/mosflm.inp

A typical Mosflm input for BM16 can be found here.

Remember BM16 has a Reverse Phi geometry so the DETECTOR MARCCD REVERSEPHI keyword must be used when processing BM16 data with MOSFLM!!

Running the strategy option in Mosflm

Select the "Strategy" option from the main MOSFLM menu then enter the following keywords:

STRATEGY AUTO GO

The program will determine the current phi angle and generate a reflection list starting at that phi angle, for a total rotation determined by the Laue group. It will then generate a list of all unique reflections and merge the two lists. Finally it will give the completeness of the data for the rotation range generated. i.e:<

Optimum rotation gives ###% of unique data
This corresponds to the following rotation ranges for the final run
From ## to ### degrees
Type "STATS" for full statistics

Tip: Typing STATS at the prompt will give a breakdown as a function of rotation angle and resolution, as well as a breakdown for the
anomalous data.

To optimise the speed while ensuring the maximum completeness is obtained. You should consider entering something like the following at the prompt:

STRATEGY ROTATE 180 SEGMENTS 2

STRATEGY GO

The program will then give the best phi ranges to collect for two segments, each of 90 degrees, giving a total rotation of 180 degrees. i.e:

Optimum rotation gives ###% of unique data
This corresponds to the following rotation ranges for the final run
From 0.0 to 90.0 degrees
From 135 to 225.0 degrees

Alternatively, the completeness of specified segments can be tested by using the testgen option or by entering the following input:

START 0 END 20
START 65 END 90
GO

Scaling & Merging Data

The programm SCALA from CCP4 is recommended to scale and merge data processed with Mosflm.

Full documentation on all CCP4 programs can be found here.

More info on MOSFLM can be found on the ESRF PXSOFT pages.