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Failure modes and regularization

The shell-to-annulus mixing that projct performs is upper-triangular: the emission in annulus $i$ is a sum of contributions from all shells $j \ge i$, weighted by the geometric path length of shell $j$ through annulus $i$. Recovering the shell parameters is the inverse of that mixing — each inner shell is obtained by subtracting the fitted outer-shell contributions from the observed annulus — and that subtraction is an ill-conditioned operation. Two consequences follow, and neither is flagged by the fit output:

  • Noise amplifies inward. Outer-shell uncertainties propagate into every inner shell they overlap, so the innermost shells — built on the most subtractions — are the noisiest, and adjacent shells become strongly anti-correlated (an upward fluctuation in one shell forces a compensating downward one in its neighbour).
  • The conditioning is set by the annular partition. Thin shells give nearly-degenerate mixing rows and a poorly-conditioned inverse; the same data, re-binned, can yield a qualitatively different deprojected profile. There is no warning and no built-in conditioning diagnostic.

Typical symptoms and their mitigations:

Symptom Cause Mitigation      
Innermost shell kT/norm wild or railed noise amplified through repeated subtraction regularize; widen the inner bin      
Adjacent shells anti-correlated; oscillating profile ill-conditioned inverse, over-fit to noise smoothness prior; coarser partition      
Profile shape changes on re-binning conditioning set by the partition re-bin-and-refit sensitivity scan      
Error bars implausibly small after a good fit degeneracy hidden by the point estimate sample the posterior under a smoothness prior      
Outermost shell unconstrained few/no annuli beyond it fix or tie the outer shell      

The robust deprojection tools outside XSPEC all replace the raw inverse with some form of regularization or physical prior: dsdeproj (Sanders & Fabian 2007) propagates Monte-Carlo errors through a model-independent geometric deprojection; MBProj2 (Sanders et al. 2018) forward-fits the projected data with a smooth parameterised 3-D model; and mass-profile codes such as clmass impose a physical profile. Within XSPEC the same effect is available through the bayes smooth command, which couples a chosen per-datagroup parameter (e.g. norm or kT) across the shells with a Tikhonov smoothness prior built from the shell radii (taken automatically from the XFLT major keywords). It leaves projct itself unchanged, is off by default, regularises both the Levenberg–Marquardt fit and the posterior samplers, and can select its strength automatically by the L-curve or discrepancy criteria. See the bayes command description and the Bayesian Methods chapter for details.