Hi, In phenix.model_vs_data, a special handling of ANISOU records and TLS parameters were mentioned in "http://scripts.iucr.org/cgi-bin/paper?he5476". My understanding is the following and pls let me know if I am wrong: ************ (1) In TLS, some programs output a PDB with ANISOU including only TLS B-factor (case A), and other programs output a PDB with ANISOU including both TLS and residual B-factor (case B). (2) In the former case (A), the ANISOU B will be added to the residual B; The later case (B) is straightforward. (Both will be tried and lowest R/Rfree will be used) (3) In the former case (A), if ATOM B records contain both TLS (isotropic conversion) and residual B, TLS-isotropic B will be substracted from ATOM B records. The later case (B) is straightforward. (Both will be tried and lowest R/Rfree will be used) ************* Pls let me know if I am wrong somewhere. Thanks a lot! Best Regards, Hailiang