aiAveraging

Sub-Tomogram Averaging estimates the rotation and shift of each sub-tomogram relative to reference.

aiAveraging needs a configuration file provided by the -u argument. Some options can be overwritten using command line arguments.

Options are:

CudaDeviceIDs

The deviceIDs of the GPUs to use.
Argument for command line: -d or –CudaDeviceIDs
Type: List<int>, a list of integer values
Option is mandatory: true

LP

Low pass filter value.
Argument for command line: -lp or –LP
Type: float
Option is mandatory: true

LPS

Low pass filter sigma value.
Argument for command line: -lps or –LPS
Type: float
Option is mandatory: true

HP

High pass filter value.
Argument for command line: -hp or –HP
Type: float
Option is mandatory: false
Default value if not set: 0

HPS

High pass filter sigma value.
Argument for command line: -hps or –HPS
Type: float
Option is mandatory: false
Default value if not set: 0

MotiveList

The list of particles to average. Naming convention: filename_IterationNr.motl.
Type: string
Option is mandatory: true

Particles

Particle filename. Two naming conventions are possible: filename_PartNr.em/mrc or filename_TomoNr_PartInTomoNr.em/mrc.
Type: string
Option is mandatory: true

References

Reference filename. Naming convention: filename_RefNr_IterationNr.em/mrc.
Type: string
Option is mandatory: true

Wedges

Wedge filename. Naming convention: filename_WedgeNr.em/mrc.
Type: string
Option is mandatory: true

Mask

Mask filename. Naming convention: filename_MaskNr.em/mrc.
Type: string
Option is mandatory: true

RotateMask

Indicates if the reference mask has to be rotated with the particle orientation.
Type: bool
Option is mandatory: true

MaxShift

Maximum allowed shift (or set MaskCC filename)
Type: int
Option is mandatory: false
Default value if not set: 0

MaskCC

MaskCC filename. Naming convention: filename.em/mrc.
Type: string
Option is mandatory: true
Only applicable if MaxShift = -1.

RotateMaskCC

Indicates if the CC-Mask has to be rotated with the particle orientation.
Type: bool
Option is mandatory: true
Only applicable if MaxShift = -1.

StartIteration

The iteration to start with this run of averaging.
Type: int
Option is mandatory: true

IterationCount

The number of iterations to perform starting at ‘StartIteration’.
Type: int
Option is mandatory: true

AngIter

Number of angular search increments.
Type: int
Option is mandatory: true

AngIncr

Angular search increment.
Type: float
Option is mandatory: true

PhiAngIter

Number of angular search increments for phi angle.
Type: int
Option is mandatory: true

PhiAngIncr

Angular search increment for phi angle.
Type: float
Option is mandatory: true

BestParticleRatio

Only sum up the best ‘BestParticleRatio’ particles for each reference.
Type: float
Option is mandatory: false
Default value if not set: 1

CouplePhiToPsi

Indicates if the phi angle is coupled to psi (can be necessary for restricted search ranges).
Type: bool
Option is mandatory: true

Method

Defines the averaging method: ‘Standard’ for averaging on a single reference per class, ‘Gold-Standard’ for two independent references per class, ‘Multi-Reference’ for classification.
Type: one of [GOLDSTANDARD, MULTIREFERENCE, STANDARD]
Option is mandatory: true
Possible notations:

  • GOLDSTANDARD: GOLDSTANDARD, GOLD-STANDARD, Gold-Standard, gold-standard, GoldStandard, goldstandard
  • MULTIREFERENCE: MULTIREFERENCE, MULTI-REFERENCE, Multi-Reference, multi-reference, MultiReference, multireference
  • STANDARD: STANDARD, Standard, standard

CorrelationMethod

Defines the correlation method to use: ‘Cross-Correlation’ or ‘Phase-Correlation’.
Type: one of [CROSSCORRELATION, PHASECORRELATION]
Option is mandatory: true
Possible notations:

  • CROSSCORRELATION: CROSSCORRELATION, CROSS-CORRELATION, CROSS_CORRELATION, CrossCorrelation, Cross-Correlation, Cross_Correlation, crosscorrelation, cross-correlation, cross_correlation
  • PHASECORRELATION: PHASECORRELATION, PHASE-CORRELATION, PHASE_CORRELATION, PhaseCorrelation, Phase-Correlation, Phase_Correlation, phasecorrelation, phase-correlation, phase_correlation

CompensateNoWBPWeighting

When particles are reconstructed without WBP weighting and when using cross-correlation, the amplified amplitudes due to reconstruction are corrected before cross-correlation, if set to ‘true’.
Type: bool
Option is mandatory: true
Only applicable if CorrelationMethod = CROSSCORRELATION.

SubPixelRatio

For values > 1, the shift is determined with sub-pixel precission. 2=0.5 pixel shift, 4=0.25 pixel shift, etc.
Type: int
Option is mandatory: false
Default value if not set: 1

PhaseRandomizationLimit

When assessing resolution, an additional FSC is performed with randomized phases for frequencies above the limit. This allows to quantify the influence of the mask on the FSC.
Type: int
Option is mandatory: true

AddParticles

If set, the particles are only summed up to create a new reference for the first given iteration.
Argument for command line: -add or –AddParticles
Type: bool
Option is mandatory: false
Default value if not set: false

DoseWeighting

Enabled by default, if set to false, no dose weighting is applied. If true, and the particles are reconstructed without dose weighting, the particle is weighted before summation.
Type: bool
Option is mandatory: false
Default value if not set: true

Symmetry

If provided, the average result is symmetrized with the provided symmetry (even, odd and summed volume).
Type: string
Option is mandatory: false
Default value if not set: ’’

RigidScan

Scan Psi angles with fixed angular distance (equal to PhiAngIncr).
Type: bool
Option is mandatory: false
Default value if not set: false

SaveFilteredReference

Indicates if additionally to the reference volume, a volume low pass filtered to the estimated resolution is saved, too.
Type: bool
Option is mandatory: false
Default value if not set: false