Relion 4.0.1 | After Iteration 01, Reference is updated with NaNs

[jacob-r-anderson]

Relion 4.0.1 | After Iteration 01, Reference is updated with NaNs

[jacob-r-anderson]

I have looked more closely at the output files. It appears that the error is likely because the references generated after the first iteration contain NaNs. Unclear why this is occuring now and not before.

Again - this is a problem where a job that did not throw an error now throws an error. The exact data input are identical as shown above.

After the first iteration, run_it001_half1_class001.mrc has NaNs.

header run_it001_half1_class001.mrc

 RO image file on unit   1 : run_it001_half1_class001.mrc     Size=     153532 K

 Number of columns, rows, sections .....     340     340     340
 Map mode ..............................    2   (32-bit real)              
 Start cols, rows, sects, grid x,y,z ...    0     0     0     340    340    340
 Pixel spacing (Angstroms)..............   3.360      3.360      3.360    
 Cell angles ...........................   90.000   90.000   90.000
 Fast, medium, slow axes ...............    X    Y    Z
 Origin on x,y,z .......................    0.000       0.000       0.000    
 Minimum density .......................          NaN
 Maximum density .......................          NaN
 Mean density ..........................          NaN
 tilt angles (original,current) ........   0.0   0.0   0.0   0.0   0.0   0.0
 Space group,# extra bytes,idtype,lens .        0        0        0        0

     1 Titles :
Relion    09-Jan-24  13:40:28      

Compared to:

RO image file on unit   1 : run_it000_half1_class001.mrc     Size=     153532 K

Number of columns, rows, sections .....     340     340     340
Map mode ..............................    2   (32-bit real)              
Start cols, rows, sects, grid x,y,z ...    0     0     0     340    340    340
Pixel spacing (Angstroms)..............   3.360      3.360      3.360    
Cell angles ...........................   90.000   90.000   90.000
Fast, medium, slow axes ...............    X    Y    Z
Origin on x,y,z .......................    0.000       0.000       0.000    
Minimum density ....................... -0.20950    
Maximum density .......................  0.20464    
Mean density ..........................  0.53888E-12
RMS deviation from mean................  0.28042E-01
tilt angles (original,current) ........   0.0   0.0   0.0   0.0   0.0   0.0
Space group,# extra bytes,idtype,lens .        0        0        0        0