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fEmfUm]USEff#Ef=@Cs[]5D5DjEPhDjUeSffUf#Ef=@s#f=?rVƀt[]wf} 3rDƀt]uujEPhDj@f==rUEfEftr]5D5 DjEPhDj USEff#Ef=@Cs[]5 D5DjEPh$Dj USVU3ɊBeDu<+t<-u<-B3ɍ ȊB<0|<9~t^[]UEPY]h8Dj YhcD^ YUSV}u f~@fj?fCf;E fPfffum f;sEEEE|f;uQjjEh h }um ]E]m ]h URaEDff f Hf Hf Hum +f;v#3EEhD"ftEEm ^[]USVW}u] |M$H} }t-CލM܋3A3uI< }0CECU;uE _^[]ÐUjajj E PURv]UE8u3҉PP]Ã8u]3]UE8u3҉PP fP$]Ã8u]3]UEU DıD]U3ҋE DD]Çېi D5NZ@ D%ÇېSVD5 Dù5Ntփ؋ D%5D^[UEU MGtgu H;r]Àx0t(D :HuH]ÐUȡ(DSVWU} (~E (M ME$߈E|_^[ÐUEP]]ÐUE URHlQRHQPRH QP DQ@HDPh$DUR5(]UShDDEDPS []UEPYPY]UQSVW]3ҋù<Dù<33ҋù<V3ҋù<3ҋùйiV3҃FFEF8"u;rQYEF+փ} t@=Dt7NÃ3QjPù3Rpt F C3F 3ҹV3ҋùù3҉FECEVFu1)lines must be defined (>0)CELL HKLHKLread_phase(xnd_rpha.c)magnet+modulmodulationmagnetquasicubiqueparasiteamorphehkl_genereshkl_lusPHASETITLENATURETRANSITORIG%d%d%f %[^@ ] PHASE #%d : %d (%s), %d T transitions, origine du developpement :%.3f '%s' PHASE : '%s' SCALETRANSIT %s%s Alloc %d * %d %s > %ldtst_alloc(xnd_use.c)E_ALLOC Allocating memories %u * %u : %s Memoire restante disponible pour %u elements de dimension %u Aucune memoire disponible str_alloc(xnd_use.c)str_allocE_FOPEN Failed in opening file '%s' : '%s' %9.3f (lambda 0) %s=%9.3g added to ical profil_tds_0(xnd_unc.c)dif_nature invalidetds_000profil_tds_hkl(xnd_unc.c)tds(%d,%d,%d)gen_uncoherent(xnd_unc.c)dif_nature invalidecompton dl %.3f dl_min %.3f dl_max %.3f resol %.3f dl_eff %.3f cpt error : non supported extiction setting extinction %s ini_4D_extinction (xnd_sym4.c)3D_extinction usedR4A4AA4PB4BB4PC4CC4PU4OU4QV4OV4QW4OW4QL4AL4BL4CL4IL4FL4PM4AM4BM4CM4IM4FM4PN4AN4BN4CN4IN4FN4PMN4AMN4BMN4CMN4IMN4FMN4PLN4ALN4BLN4CLN4ILN4FLN4PLM4ALM4BLM4CLM4ILM4FLM4P Unexpected case in ini_extinction xnd_sym.c)memory_new(xnd_swap.c)pointsdy_dpE_DYDPS Seek DYDP fileE_DYDPW Write DYDP filememory_free(xnd_swap.c)memory_free : l_diag (xnd_swap.c)memory_free : dy_dp (xnd_swap.c)memory_swap (xnd_swap.c)disk_dydp parameter : %d points are in memory parametre disk_dydp defini : %d points en memoire, maximum %ld parametre disk_dydp modifie : %d points en memoire disk_dydp parameter : %d points are in memory (max = %ld) Size of temporary derivative array : %ld ko Sizes have been modified for %d parameters swap fileE_DYDPS Seek DYDP fileE_DYDPW Write DYDP fileE_DYDPS Seek DYDP fileE_DYDPR Read DYDP fileE_RDATF Read Data fileE_WDATF Write Data file bin data filesgn_traite_hklE_RDATF Read Data file%4d %3d %3d %3d %3d %7.1f %7.1f ( %7.1f %7.1f ) sng_crystal(xnd_sng.c) EXPERIMENT '%s' at %.3f PHASE #%d : '%s' %s derivderivderivderiv#%s a %f # h k l m%d f_obs f_calc ( f_a f_b ) RwF=%.4f RF=%.4f n=%d RwF=%.4f RF=%.4f n=%d error_message_stack : %2d/ %s ???SIGINTInterrupt by userSIGILLIllegal instruction, please reportSIGABRTSoftware generated abortSIGFPEFloating point exceptionSIGSEGVMemory segmentation violation, please report Abnormal end : signal %d (%s) %s ???FPE_INTOVFLOWFPE_INTDIVFPE_INVALIDFPE_ZERODIVIDFPE_OVERFLOWFPE_UNDERFLOWFPE_INEXACTFPE_STACKFAULTFPE_EXPLICITGEN Floating point error code %d (%s) Signal received with code %d) signalsets_analyse (xnd_sets.c) added rules : ALLOW='%s' DENY='%s' NONE sets_extinction (xnd_sets.c)sets_make (xnd_sets.c)error realloc setsetssets_fget (xnd_sets.c)SET_%dLINESDENYALLOWLOOPAUTO sets_new (xnd_sets.c)SET_%dLINESDENYALLOWLOOPAUTOkey @SET_d is necessary to write sets rule syntax error in '%s' : %s '%s' unbalanced parenthesis in%dunkown primitive unexpected char empty right operand ofempty left operand ofempty right operand ofunbalanced parenthesis|||&&&>=<=!====><!+-*/%-unresolved sentence fprint_xyz_pos(xnd_rsym.c) %+d%s%c+-%c%d%c/%d, %cprint_sym(xnd_rsym.c)CubiqueQuadratiqueHexagonalRhomboedrique/HexagonalTrigonalOrthorhombiqueMonocliniqueBMonocliniqueCMonocliniqueAAnortic=triclinique Symetry group '%s' %s system %c (%s) holoedric %d, %d %s, %d operations (-x,-y,-z) * NotCentered Complement de symetrie pour structure modulee '%s' %s %c dimension %d, (%d) %d operations #%2d new_sym(xnd_rsym.c) %s %s %c %d %d %d analyse_xyz_pos(xnd_rsym.c) Group '%s' unable to understand '%c' (%02x) in '%s' reading symmetry data %sread_sym (xnd_rsym.c) %[CQHTROMNLA*] %d%d%d%*[ ]invalid data in symgrp header '%s'Complement de sym non validesymgrp %[^; ]%*[; ] reading group structure from %d generators symgrpsymgrp %[^; ]%*[; ]symgrpget_sym(xnd_rsym.c)SWAP_COMPOrOpen sym fileInvalid LatticeNo SYM : %sswap_sym(xnd_rsym.c) generating symmetry group for 2nd layer swaping z and t not in composite modulated phasesymgrpSWAP_COMPO#generated from %s and %s symgrpSWAP_COMPOvar_alloc_checkfget_var(xnd_vio.c)variable %s : ignored ORDERSIZENUMBERMODERELAXSHIFT%d No keys, Expansion order not found, reading parameters %s %d %s : %d parameters : expansion order %d (size %d) COORDThe number of components cannot be changed in this variable! relaxation coef is multiplied by %f for this var boundaries set (%d) for %s'var>0' '|shift| < %f' hkln_atom=var_orderhkl=0%3d HKL%dH[%d] not found %3d HKL is node (0,0,0...) hkl lus E_READ Reading '%s' at %.4fmax_order%f %d_%8.3f %8s %2d_%5s%3d HKL%dH[%d] not found %3dHKL is node (0,0,0...) %2d_%2d%f %12.6g%d %3dcodeword to high%f%f (%3d %9.6f) ( ) %8s %12s %8s ORDERSIZE %d -%d %d %3d %s %8.3f %s %3d %s %15.8g %3d %8f var_checkfput_var %3d%s %8s *%d_%7.3f %8s %2d_%5s %*d %2d_%2d (%d) * NOT GT0 ABS error, sigma2(%.2g)<0 %3d %8s %2d %f %f printformat(xnd_vio.c) XND_ERROR printformat : signif(%g) <~ 0 %g %g %g debug info : range %d value %d digits %d lga %d level %d shift %g, a %g b %g c %g e%+03d % #*.*f%s % #*.*f%s % #*.*f%s %5.2fvar_alloc (xnd_vio.h)Unexpected var_alloc argvar_allocLINEShkl error adjusting sizevar_realloc_table(re)alloc) var %s (number %d)min_lin(xnd_main.c)vectorlsq Position %.3f (%s), min %.3f (%.1f), opt %.3f (%.1f), max %.3f (%.1f) quad minquad maxlin. Shifts at %.3f, ending position historyhistoryhistory Angle and projection of calculated motion on previous motions : [%d] %6.1f %g resize errorE_WDATF Write Data filehkl_file_rd) %[#]%hd%f %f%*[^ ]%*[ ]get_hkl_data(xnd_rex3.c)DATAFILESIZETEMP%f%d %[^ ] DIAG : T = %.3f, nb=%d : '%s' rhkl_data file%sFile type unknownE_ZEROP No data point in file '%s' %d hkl lines found in '%s' The number of lines in the file does not agree %d%*c%3c%*c%d%d%*c%d%*c%d format Date inconnu!%dErreur lecture data Le fichier contient %d blocs %f Diag #%dOBS%f%fi_obs bloc %fE_READ Reading '%s' at %.4f diag #%d, T = %f, %d points lus entre %.3f et %.3f Nb de points declares non conforme %d%d%d%d%dOBSeffeff%f%f Efficacite negative ou nullePlus de exper que d'enregistrementsVariable T non enregistreevdmi%fEOF fichier data Diag #%d%f%fLe cumul depasse le nombre de diag du fichier %fE_READ Reading '%s' at %.4fi_obs diag #%d, T = %f, %d points lus entre %.3f et %.3f Nb de points declares non conforme f_infoDATAFILESIZETEMPSUMSKIPVARMONIT%d%f%d%d%d%f %[^ ] DIAG : (%d points) a partir de T = %.3f (cumul %d saut %d) variable %d, moniteur %f, fichier : '%s' rtdata filestep_fich(xnd_rex1.c)E_ZEROP No data point in file '%s'%d %f %fBloc #%d / %d non trouve%f%f%f%f%f%f bloc #%d : dt0 %.3f ddt %.3f dtf %.3f sm %.0f dt0 %.3f dtf %.3f parametre en lecture bloc #%d /%dE_NEGAT Data File not increasing : %.4f >= %.4f%fE_READ Reading '%s' at %.4fi_obsE_READ Reading '%s' at %.4fdtheta%f%*[^ ]%*[ ]%*[^ ]%*[ ]E_ZEROP No data point in file '%s'tab_fich(xnd_rex1.c)E_ZEROP No data point in file '%s'%s%*f%f%*f%f%*f%fE_NEGAT Data File not increasing : %.4f >= %.4fE_RANGE Data File dtheta out of range : %.3fE_ZEROP No data point in file '%s'get_real_data(xnd_rex1.c)DATAFILESIZETEMP%f%d %[^ ] DIAG : T = %.3f, pts %4d : '%s' rdata file%sUnknown file typeE_ZEROP No data point in file '%s' %d data values get between %.3f and %.3f Warning, the number of values found is not the expected one Verif data_fichWed Mar 7 14:54:54 WET 2001XND 1.23host unknownwin32 For docs : http://www-cristallo.polycnrs-gre.fr/xnd/xnd.html For bugs,... : berar@polycnrs-gre.fr For updates : anonymous@ftp.polycnrs-gre.fr in pub/xnd J.-F.Berar, G.Baldinozzi, CPD Newsletter 20 (1998), p3-5 %c%s %d %f %9.5f%s %s%ddifdat%fget_dif(xnd_rdif.c) dif =ropen diffusion fileDim table difdifdatdifdat dif =No Dif : %sanomal %s%d anomalous f' and f" : %s for %d wavelength(s) %s %d anomal%f%f%f %f f'= %f +i f"= %f %f %f %f \\\\purge_cr(xnd_rd.c) %[ ]read_remark(xnd_rd.c) %[#] Using system tmpfile for %s xnd%s_%d.$$$ Using '%s' as temporary file for %s w+ No tmp file found in %s clean_remarksReading Usage : '%s [-s] coord_file' %s Coordinates file ? xnd_doc.dxnd.. %[^ ] %s : %s [%s:%s] (%s) there are some problems reading files using MS-WINDOS in case of error, try to add empty lines between keys! r.krE_FOPEN Failed in opening file '%s' : '%s' coordinatesE_HDR Failed reading header in opening file '%s' : '%s' there are some problems reading files using MS-WINDOS in case of error, try to add empty lines between keys! xnd_dif.d if needed '%s' will be searched xnd_sym.d if needed '%s' will be searched Reading %d symetry group(s) Reading %d anomalous tables Reading %d diffusion tables rw+datafileremarksNo experiment to readexperNo phase to readphase%f %d %*lf Marquardt parameter is invalid %f, modified starting value of the Marquardt parameter %.3g, decreasing by %d/10 Size of temporary data file : %s %ld ko %d variables (%d parameters), %d cycles allowed swap fileSize of temporary swap file : %ld ko vecteurmatriceH(DO(DQ(DS(DU(D[(D`(Df(Dk(Dq(Du(Dz(D(D(D(D(D(D(D(D(D(D(D(D(D(D(D(D(D(D(D(D(D(D(DCentr.ABCAlphaBetaGammacoefthetaphiWl_CWg_CWlTWgTTETAPHIA0ATX_BlY_BlZ_BlTETPHIPSILenghtAngled_a*d_b*d_c*iwlw_unctds_sptds_rd %s %6sunknown atomdist%d %f %d liaisons, sigma = %.3f LENGHTANGLEcoord #%2d coord -> %[^; ]%*[; ]fget_phase_prof(xnd_rcry.c)Unable to handle multiple profiles if (nb_sets <= 1)!profil%d n_prof<0, one block of profile parameters for each lines set PROF%s_%dPROFPROF ASYMorien%dORIENfget_vectorVECTOR composite superstructure can only deal with c superstruture fget_magnetmodulationMAGNETORDERCENTER_XCENTER_YCENTER_ZSYMGRPkey @MAGNET is necessary to read magnetic info MAGNETIC SUPERSTRUCTURE : order (vector ratio) %d uncomensurated magnetic not implemented symetry group for magnetic vectors: '%s' Relation between nuclear (%s) and magnetic (%s) symmetries expressed on nuclear cell : #%2d magnetic nuclearmagnetic Nops must be multiple of nuclear Nops and superstructure order Symmetry ratio ( %d=%d*%d/%d) used for weighting included atoms @CRYSTAL::SETS!=0 is requestedfget_modulmodulationMODULSIZEORDERCENTER_XCENTER_YCENTER_ZSYMGRPCOMPOCOMPO_SYMCOMPO_SYM4BIG_CELLkey @MODUL is necessary to read modulation info MODULATION : %scommensurate, size %d un only 4D groups are allowed : size ONE for modulationcomposite structure : the first %d atoms belong to the first layer, the %d=%d-%d others to the second 0 : not a composite structure 4d centering vector : %.4f %.4f %.4f Structure factors use Bessel functions Integrals for incommensurate are calculated using %d points%s (default) symetry group : '%s' Size of complentary group for modulation does not agree with modulation size nOps of complentary group for modulation does not agree with basic groupSWAP_COMPO composite: 2nd layer symetry group : '%s' composite: 2nd layer 4D symetry group : '%s' Size of complentary group for modulation does not agree with modulation size nOps of complentary group for modulation does not agree with basic group XND limitation, use the same lattice by adding necessary translations in composite@CRYSTAL::SETS!=0 is requestedfget_crystal(xnd_rcry.c)P1CRYSTALSYMGRPATOMORIENPROFBLOCKBONDUNCOHSETS %s%d%d%d%d%d%d Symmetry group : '%s' %d Polynome(s) en orientation, %d en profil, %d atom(s), %d rigid body, %d uncoherent code, %d T restraints nb_sets : %d n_orien > 0 : prefered orientation function is common to all experiment! n_orien < 0 : prefered orientation function depend of the experiment! %d * %d functions have to be read n_prof < 0 : profile function depend on the lines set! uncoherent code implies : %s%s%s compton tds_hkl tds_000CELL %d != %d key(s) @SET_x are requested for multisets phases or rules evaluationR_BODYblocblocbloc%d The rigid body klock #%d_ is made with %d atoms BLOC vide The unit cell contains %d sites magnetic atoms are skipped: phase is not known as magnetic! modulated atoms are skipped: phase is not known as modulated! Big cell approximation of composite structure : %dc and %dc (%d*%.2f) LINES There is ZERO atom in the cell, assuming Fhkl = 1 for all lines of SET_%d DIFFUSE Usage contrainte invalidebond%d%d %d distance(s) %d angle(s) %f%3d T_bond %f 7D7D7D7D 7D7D7D7D7D7D7D7D7D"7D&7D*7D.7D27D67D:7D=7D@7DC7DE7DI7DM7DQ7DU7DY7D]7Db7Dg7Dl7Dq7Dv7D{7D7D7D7D7D7D7D7D7D7D7D7D7D7D7D7D7D7D7D7D7D7D7D8D 8D8D8D8D&8D-8D48D;8DB8DI8DP8DW8D^8De8Dl8Ds8Dz8D8D8D8D8D8D8D8D8D8D8D8D8D8D8D8D8D8D9D 9D9D9D#9D+9D39D;9DJ9DR9DXYZOcBisoKxKyKzRXYZOcb11b22b33b12b13b23KxKyKzRS_xC_xS_yC_yS_zC_zS_OcC_OcC111C222C333C112C113C221C223C331C332D1111D2222D3333D1112D1113D2221D2223D3331D3332D1122D1133D2233D1123D2212D3312E11111E22222E33333E11112E11113E22221E22223E33331E33332E11122E11133E22211E22233E33311E33322E11123E22213E33312E11223E11332E22333F111111F222222F333333F111112F111113F222223F1123F2212F3312F111122F111133F222211F222233F333311F333322F111123F222213F333312F111222F111333F222333F111223F111332F222113F222331F333112F333221F112233atom_mult %s sym %d (%6.3f )%c %s inv*%d (%6.3f )%c atom_sym%d/%d0%d/%d0%d/%d0xyzyzxzzxyyxxy? special position (orthorhombic check : 3,4,6 axis ignored) %d : %s, %s, %s %s symmetry study (DON'T USE, needs to be validated) wave symmetry (%cT%+d/%d) restriction : S_%c C_%c for 1q and 2q none for 1q and 2q S_%c C_%c not allowed for 1q S_%c C_%c for 2q unchecked S_%c C_%c for 1q and 2q S_%c C_%c for 1q C_%c S_%c for 2q unchecked summary (Sin,Cos) : (1q) x(%c,%c) y(%c,%c) z(%c,%c) (2q) x(%c,%c) y(%c,%c) z(%c,%c) atom_siteatom_siteatom_site Using %s, %s generates %d(%d/%d) sites corresponding to %.2f(%.2f*%d) atoms in the cell The chemical occupancy is then %.3f %s don't generate (%d/%d) sites for the %.2f(%.2f*%d) atoms in the cell check_dif00-_fget_atom(xnd_rato.c)atomsATOMNAMECHEMCASECONVERT %s %s No keys, Atom name and species not found %d %s %s 'B_ISO=b11 to b_ANISO' %d:(Unknown case B_ANISO B_ISO MAGNET MODULATED=%d B_ANHARM3 anharmonic expansion is only valid for simple case B_ANHARM4 anharmonic expansion is only valid for simple case B_ANHARM5 anharmonic expansion is only valid for simple case B_ANHARM6 anharmonic expansion is only valid for simple case F_ROTAT free rotator applies only valid for simple case)magnetic or modulated atoms are not allowed in rigid bodyCOORDCOORD 'B_ISO=b11 to B_ANISO' conversion from B_ISO to B_ANISO needs variable order=1... B11=%6.4f B22=%6.4f B33=%6.4f b1=b13=b23=0 MODULANHARM3ANHARM4ANHARM5ANHARM6get_12hdr(xnd_r12.c) %[@#] %s : %s [%s:%s] (%s) %s Reference : %s xnd_1.2x header mode %s .lst.new.hkl.plg.cifXNDCYCLEPHASEEXPERSYMANODIFLSTNEWPLGHKLCIFrem0 wE_FOPEN Failed in opening file '%s' : '%s' listing files '%s' --> '%s' : %s %s Number of cycle(s) : %d Number of experiment(s) : %d , Number of phase(s) : %d Symetry group(s) : %d , Anomalous diffusion table(s) : %d , Scattering table(s) : %d Current files names are : '%s' (new coordinates), '%s' (hkl intensities), '%s' (plot) MODESLSQBGROUNDPROFILEORDERASYMSTOPPROFRELAXVAR_MODE The method code %d implies : %s, %s, %s, %s min.lin. w(y_calc) correl. x_back defaults interpolsplinepolynomial??? The background code %d implies : %s%s%s , adding uncoherent, printing uncoherent The profile code %d implies : %svoigt pseudo Parameters expansion order %d OUTPUTNEWPLGHKLSYMDIFCORKEYCIFNEW file is the same than the coord file The new file '%s' will be produced with serial number #%d prt_new =0 : No NEW file will be produced The plg code %d implies "%s %s %s" option(s) in %s no_headeradd_endrecordadd_semicolumnq_steps prt_plg =0 : No PLG file will be produced The hkl code %d implies : %s Printing non calculated lines prt_plg =0 : No HKL file will be produced Data for cif will be generated in '%s' cif file '%s' will not contain standard deviation : cycle = 0 OTHERSVALIDDYDPDATATMPDEFDNAMETMPPATH valid_ref non nul ==> affinement restreint : 1 < code < 10 : (code - 2) modulo %d == %d ==> codes affines %d, %dxx TESTEXPERPRINTAS_RMINAS_RMAXAS_RESOLAS_WIDTHBRG_RATIOtest : print & 0x01 -> prints out matrix and vectors test : print & 0x02 -> prints out in pseudo-voigt test : print & 0x04 -> prints out on convol asym irem > REMARK_PAR, please report!wNEW file%s .lst.new.hkl.plg.cif%sXNDCYCLEEXPERPHASESYMANODIFLSTNEWPLGHKLCIF %sMODESLSQBGROUNDPROFILEORDERASYMSTOPPROFRELAX %sOUTPUTNEWPLGHKLSYMDIFCORKEYCIF %sOTHERSVALIDDYDPDATATMPDEFDNAMETMPPATH %sTESTPRINTAS_RMINAS_RMAXAS_RESOLAS_WIDTHBRG_RATIO %sget_init_param %[#]%d%f %[^ # ]Unvalid type in get_init_param, please report!Unable to read initial parameter '%s' (type %d)%[ ]%[#]%c%s%5d%10.4f %sUnvalid type in new_init_param, please report! %s %[^ ]wE_FOPEN Failed in opening file '%s' : '%s' listingget_11hdr(xnd_r11.c) %s : %s [%s:%s] (%s) %s Reference : %s %s xnd_1.1x header mode : files '%s' --> '%s' : %s rem0rem1Number of cycle(s) %s : %d TEST_MODE on : %d TEST_MODE max_cycle %s : %d TEST prints out matrix and vectors TEST prints out in pseudo-voigt TEST prints out on convol asym TEST get asym parameters TEST_MODE asym_rmin %s : %f TEST_MODE asym_rmax %s : %f TEST_MODE asym_resol %s : %d TEST_MODE asym_width %s : %d TEST get bragg repart parameter TEST_MODE bragg_repart %s : %f Symetry group(s) %s : %d Anomalous diffusion table(s) %s : %d Scattering table(s) %s : %d Number of experiment(s) %s : %d Number of phase(s) %s : %d Eps_stop %s : %.4f Eps_prof %s : %.4f Relaxation coef %s : %.4f method %s : %d back_ground %s : %d Profile %s : %d The method code implies : %s, %s, %s, %s min.lin. w(y_calc) correl. x_back The method code implies defaults interpolsplinepolynomial??? The background code implies : %s%s%s , adding uncoherent, printing uncoherent The profile code implies : %svoigt pseudoAsymmetry functions code %s : %d Parameters expansion order %s : %d valid_ref %s : %d Print sym %s : %d Print dif %s : %d Print correl %s : %d NEW file %s : %d NEW name %s : '%s' NEW file is the same than the coord fileE_CHK Internal consistency : %sTo much init_param to read, please reportHKL file %s : %d HKL name %s : '%s' PLG file %s : %d PLG name %s : '%s' plg_code implies : %s %s %s no_headeradd_endrecordadd_semicolumn valid_ref non nul ==> affinement restreint : 1 < code < 10 : (code - 2) modulo %d == %d ==> codes affines %d, %dxx Printing non calculated lines : prt_hkl = %d disk_dydp %s : %d disk_data %s : %d data name %s : '%s' tmp_default %s : %d data_path %s : '%s' tmp_path %s : '%s' wNEW file%s %s /;(,A? 8@}v'rB@??K)?#@ qr@?> @Q$0@˿? hK?B?/;(,?ɫ A}vr2ՑAK)@m@ ALq7?R?UAMo$%BL2 y@@B@ The asymmetry functions code %d implies : instrumental uses (H+S)/L ... convolution together with odd derivative of gaussian instrument and phases use only odd power expansion with gaussian too much asym functions required max(%d) instrumental uses only (H+S)/L ... convolution phases uses only odd power expansion with gaussian profile table for asymetry convolutiondef_asym(xnd_prac.c)convol asym needs non ZERO sum of valuesprev_asym ------- p_sum %.3g integ %5.3f (is=%d, ms=%d) instru approxsample approxconvolasym (%2d%2d%2d) %7.3f wasym=%.4f inf=%5.4f min=%5.4f norm=%.4g --> %s %d, t_width=%d reallocating profile tables for convolutionrealloc_profile(xnd_prac.c)prof_case = %d, switch error, report please!profil_asym0(xnd_prac.c) ostep %d step %d tw %d nw %d, dt=%.4f HKL %3d %3d %3d %.3f w_asym=%.3f phi_inf=%.3f phi_min=%.3f l_width=%d c_width=%d r_width=%d d_pil_asymprofil_asym1(xnd_prac.c)d_pil_asym1profil_asym2(xnd_prac.c)pro2 dt %f dphi %f conv %f valeur %f d_pil_asymprofil_asym3(xnd_prac.c)d_pil_asym %3d : %6s -> %6s : d=%6.3f dd/s=%5.2f (%5.2f %5.2f %5.2f) deriv_distderiv_dist %3d : (%6s -> %6s :%4.1f) (%6s -> %6s :%4.1f): a=%6.3f da/s=%5.2f deriv_anglderiv_angl penality PENALITES PHASE '%s' a %f %d %f%s %6s %6sATOMNAMECHEMCASE %s %s %dCOORDMODULANHARMMAGNETORDERCENTER_XCENTER_YCENTER_ZSYMGRPkey @MAGNET is necessary for magnetic info SWAP_COMPOMODULSIZEORDERCENTER_XCENTER_YCENTER_ZSYMGRPCOMPOCOMPO_SYMCOMPO_SYM4 %d %d %d %d %.4f %.4f %.4f %s %s %s P1CRYSTALSYMGRPATOMORIENPROFBLOCKSETSBONDUNCOH%s %d %d %d %d %d %d %d %d %d%3d%3d %f %d %d %d %d %d %6s %6s new_cdr (xnd_new.c)aNEW fileEXPERTITLENATURETECHNFILEDATALAMBDABGROUNDORIGWEIGHT %d %d %d %d %d %d %.3f %s DATASTARTSTOPSTEPTEMP%f %f %f %f DATATEMPSIZEFILE %.3f %d %s DATATEMPSUMSKIPVARMONITSIZEFILE %d %f %d %d %d %f %s PHASETITLENATURETRANSITORIG %d %d %.3f %s %.4g %d # %3d %f on %secriture fichier newgenget_mod(xnd_mod.c)vector derivativesgenget_mag(xnd_mod.c) %s %2d sym %d (%6.3f %6.3f %6.3f) %s %2d inv %d (%6.3f %6.3f %6.3f) ini_composite (xnd_moco.c @SET::LINES=%d>0 skiping @SET::LOOP='%s' HK,L=0,M=0sattelite common lines according @SET(LOOP)='%s' HK,L=0,Msattelite 2nd layer lines according @SET(LOOP)='%s' HKL,M=0sattelite first layer lines according @SET(LOOP)='%s' error '%s' invalid string for composites in @SET(LOOP)='%s' No @SET(LOOP) or empty one, reqested : no default for composite' HK0?HKL? not zeroHKL? emptyHKLM? not =HK? 0 or L expectedHKL? not MHKLM? not =, %hdHKLM= num expected,HKLM=i,j... too much values in one setHKL? not Msattelite %d sattelite(s) ( %d ) according @SET(LOOP)='%s' unexpected casemoco_gen_00(xnd_moco.c)gen_moco(xnd_moco.c)gen_moco(xnd_moco.c)gen_moco(xnd_moco.c)genget_moco(xnd_mod.c)derivatives of vectorinternal error : current_sets->nb_hkl=%d^D"^D'^D-^D3^D8^D>^DD^DJ^DP^DX^D_^Dc^Dg^Dm^Ds^Dy^D~^D^D^D^DLamdaInt.WlT-tWgT-tZeroPolarTmonoS_EclTasymAbs_cylAbs_plWl0Wg0Wl_T2Wg_T2ResolA_T2A_TAS2H+S_LD_H+SVerif data_fichVerif data_fichpseudo_data(xnd_rexp.c)DATASTARTSTOPSTEPTEMP%f%f%f%f PSEUDO_DIAG : T = %.3f, start=%.4f step=%.4f stop=%.4f step lower or egal to zerono points between dtheta0 and dthetaf with such stepread_exper(xnd_rexp.c)EXPERTITLENATURETECHNFILEDATALAMBDABGROUNDORIGWEIGHT %d%d%d%d%d%d%f %[^@ ]XRayNEUTRONSRX_ANOMALNEUTRONS MAGNETIQUESsingle crystalpowderReflexion SymReflexion AssymReflexion fixed sample, linear detector ???Reflexion fixed sample, curved detectorTransmission SymTransmission Assym ???Transmission fixed sample, linear detector ???Transmission fixed sample, curved detector ???SIMULATED PATTERN 2th i th 2th i 2th i s th 2th i sexRAWDBWLLBILL_RTVDMI_RThkl Fo Sohkl Io So???s EXPER : %d (%s,%s), techn %d (%s) %d data set%s : file%s type %d (%s) phase_ref : %d, hkl_dim : %d wavelength : %d, background : %d (* %d points): %s common to diagsfor each diag T_orig in expansion %.3f '%s' EXPER : '%s' : %d data set error reading experiment header keys=%d && args=%d!=8unknown experimental natureunknown experimental setupExperiment without data setpatterns LAMBDABGROUNDBGROUNDSETTINGINSTRUINSTRUASCNVASYMLAMBDAexper_loop(xnd_loop.c)%s #%d CYCLE #%d #%d %s %s dif_nature invalideprof_matprof_posdiag_rpro Minimised_Sum = %.7g (powder = %.7g, penal = %.7g, hkl = %.7g) Probable errors on variables = %.2f * sigma Statisticaly, the model may be accepted if : |GoF-1|, |d-2| <~ 3/sqrt(%d)= %.4f powder(xnd_main.c) R_BRAGG not calculated, impossible to allocate the needed temporary file EXPER '%s' at %.3f PHASE #%d : '%s' %s scale E=%8.3g (%5.3f) Meaningless scale factor Cell volume of this phase is non-positive The asymmetry functions code %d implies : instrumental uses (H+S)/L ... convolution together with odd derivative of gaussian instrument and phases use only odd power expansion with gaussian too much asym functions required max(%d) instrumental uses only (H+S)/L ... convolution phases uses only odd power expansion with gaussian profile table for asymetry convolutiondef_asym(xnd_prac.c)convol asym needs non ZERO sum of valuesprev_asym ------- p_sum %.3g integ %5.3f (is=%d, ms=%d) instru approxsample approxconvolasym (%2d%2d%2d) %7.3f wasym=%.4f inf=%5.4f min=%5.4f norm=%.4g --> %s %d, t_width=%d reallocating profile tables for convolutionrealloc_profile(xnd_prac.c)prof_case = %d, switch error, report please!profil_asym0(xnd_prac.c) ostep %d step %d tw %d nw %d, dt=%.4f HKL %3d %3d %3d %.3f w_asym=%.3f phi_inf=%.3f phi_min=%.3f l_width=%d c_width=%d r_width=%d d_pil_asymprofil_asym1(xnd_prac.c)d_pil_asym1profil_asym2(xnd_prac.c)pro2 dt %f dphi %f conv %f valeur %f d_pil_asymprofil_asym3(xnd_prac.c)d_pil_asym %3d : %6s -> %6s : d=%6.3f dd/s=%5.2f (%5.2f %5.2f %5.2f) deriv_distderiv_dist %3d : (%6s -> %6s :%4.1f) (%6s -> %6s :%4.1f): a=%6.3f da/s=%5.2f deriv_anglderiv_angl penality PENALITES PHASE '%s' a %f %d %f%s %6s %6sATOMNAMECHEMCASE %s %s %dCOORDMODULANHARMMAGNETORDERCENTER_XCENTER_YCENTER_ZSYMGRPkey @MAGNET is necessary for magnetic info SWAP_COMPOMODULSIZEORDERCENTER_XCENTER_YCENTER_ZSYMGRPCOMPOCOMPO_SYMCOMPO_SYM4 %d %d %d %d %.4f %.4f %.4f %s %s %s P1CRYSTALSYMGRPATOMORIENPROFBLOCKSETSBONDUNCOH%s %d %d %d %d %d %d %d %d %d%3d%3d %f %d %d %d %d %d %6s %6s new_cdr (xnd_new.c)aNEW fileEXPERTITLENATURETECHNFILEDATALAMBDABGROUNDORIGWEIGHT %d %d %d %d %d %d %.3f %s DATASTARTSTOPSTEPTEMP%f %f %f %f DATATEMPSIZEFILE %.3f %d %s DATATEMPSUMSKIPVARMONITSIZEFILE %d %f %d %d %d %f %s PHASETITLENATURETRANSITORIG %d %d %.3f %s %.4g %d # %3d %f on %secriture fichier newgenget_mod(xnd_mod.c)vector derivativesgenget_mag(xnd_mod.c) %s %2d sym %d (%6.3f %6.3f %6.3f) %s %2d inv %d (%6.3f %6.3f %6.3f) ini_composite (xnd_moco.c @SET::LINES=%d>0 skiping @SET::LOOP='%s' HK,L=0,M=0sattelite common lines according @SET(LOOP)='%s' HK,L=0,Msattelite 2nd layer lines according @SET(LOOP)='%s' HKL,M=0sattelite first layer lines according @SET(LOOP)='%s' error '%s' invalid string for composites in @SET(LOOP)='%s' No @SET(LOOP) or empty one, reqested : no default for composite' HK0?HKL? not zeroHKL? emptyHKLM? not =HK? 0 or L expectedHKL? not MHKLM? not =, %hdHKLM= num expected,HKLM=i,j... too much values in one setHKL? not Msattelite %d sattelite(s) ( %d ) according @SET(LOOP)='%s' unexpected casemoco_gen_00(xnd_moco.c)gen_moco(xnd_moco.c)gen_moco(xnd_moco.c)gen_moco(xnd_moco.c)genget_moco(xnd_mod.c)derivatives of vectorinternal error : current_sets->nb_hkl=%dmin_lin(xnd_main.c)vectorlsq Position %.3f (%s), min %.3f (%.1f), opt %.3f (%.1f), max %.3f (%.1f) quad minquad maxlin. Shifts at %.3f, ending position historyhistoryhistory Angle and projection of calculated motion on previous motions : [%d] %6.1f %g resize errorini_d_metricInverting matrix(xnd_mat.c)VECT[%d] %10.3g MAT%s %2d %10.3g Null diagnonal element(s) ==> blocking parameter(s)Null diagnonal element(s) ==> blocking parameter(s) #%d%s #%d%s %d parameters are fixed too much fixed parameters in the matrix ratio %f zero %d previous %d n_par %d too much fixed parameters in the matrix in divergent system RVECT[%d] %10.3g MAT-1%s %2d %10.3g Matrix diagnonal element is zero, parameter #%d inverting matrix chol_part(xnd_mat.c)inversion 0Inversion 1Inversion 2Inversion 3Inversion 4?>>HOSTwHKL filewPLG file Creating %d vars for set %d : n_var = %d, n_par = %d New Marquardt coefficient = %.3g Overall Overall atReopen failed on '%s' %s %s Duree %lds STOP %d, %s XND_ERROR CPU usage : %9s=%.2fs %9s=%.2fs %9s=%.2fs %9s=%.2fs %9s=%.2fs %9s=%.2fs totalreadingprintinginvertingmin_lical_deriv Rwp=%.4f Rp=%.4f Rwp_c=%.4f GoF=%.2f (Rwp_b=%.4f Rp_b=%.4f) %s SwDi2=%.5g SwIo2=%.5g SDi=%.5g SIo=%.5g SwDp_c=%.5g SwDi2_b=%.5g SwIo2_b=%.5g SDi_b=%.5g SIo_b=%.5g N_b=%d Rexp=%.3f d-2=%.2f Ne=%.0f N=%d %sfhkl_magnetcell_fmag(xnd_mag.c)magnetic structure factormagnetic structure factor derivatives Fhkl_Magnet. %s(%s) (%d %d %d) ... DO NOT USE, procedure without symmetry Fm (%.2f %.2f %.2f)-> norm = %.2f MAGNETMagnetic structure Unexpected symmetry case in generating nuclear ops Printing cycle results # variable (o) value sigma shift shift/sigma wCIF file# file used to generate the cif structure # it appears only if xnd was interrupted # or followed by cif data in tests (prt_cif=8) # -------------------------------------------- EXPER : %s %s PHASE : '%s' %s %d shift(s) wil be shortened due to non-linear boundaries in vars at pass %d PHASE : '%s' at %.3f %6s %7s %7s %12s %9s %9s %9s b12=b13=b23=0 B_isoU_equivU11=U22=U33b11b22b33 %6s %7.3f %7.3f %7.4f %9.6f %9.6f %9.6f %6s %7s %7s %7s %7s %7s %7s %7s %7s B_isoU_equivU11U22U33U12U13U23 %6s %7.3f %7.3f %7.4f Correlations %d parametres Valeurs superieures a %f (prt_corel = %d) prt_correlprt_correl %3d %3d %+6.3f%s /;(,A? 8@}v'rB@??K)?#@ qr@?> @Q$0@˿? hK?B?/;(,?ɫ A}vr2ՑAK)@m@ ALq7?R?UAMo$%BL2 y@@B@traite_hkl(xnd_cal.c) (%d)%3d%3d%3d (%d) %7.3f %6.1f (%6.1f %6.1f) %s negligeablenon visible --- (%d)%3d%3d%3d (%d) %6.3f %2d %7.2f %7.2f %6.0f (%5.1g %5.1g) %5.3f sqrt(%5.3f) non positive width residu xnd_cal.c)mod_lsq Erreur maximale a %.3f : %.1f, %+.1f sigma, %.4f R %%8.%df%c# %s # %f # 2theta Yobs Ycal Ybkg dY dY/sY %8d %8.4f%c %7.*f%c %5.1f%c %8.4f%c ini_pseudo_phase(xnd_ips.c)pseudo_phaseSET_0SET_%d The number of phases has been adjusted internally to %d to take into account sets of lines associated with modulated structures... Internal phase %d '%s' %s associated with profile key 'PROF_%d' Bragg structureerror in sets rulefhkl_incmodfhkl_incmodfhkl_incmodfhkl_incmodfhkl_incmodfhkl_incmodfhkl_incmodfhkl_incmodfhkl_incmodfhkl_incmodfhkl_incmodini_pseudo_inc(xnd_inc.c)Commensurable composite are not supported @SET::LINES=%d>0 skiping @SET::LOOP='%s' HKL,M=%dsattelite 1 sattelite with M=%d according @SET::LOOP='%s' error : %s invalid string for incommensutare in @SET::LOOP='%s' No @SET(LOOP) or empty one, assuming base line 'HKL,M=0' %hdM expected = expected, %hdHKLM= num expected,HKLM=i,j... too much values in one setHKLM= num expectedsattelite %d sattelite(s) ( %d ) according @SET::LOOP='%s' fhkl(xnd_hkl.c)get_none_intensityvalid_hkl valid (%d)%3d%3d%3d%3d (%d) %7.3f %6.1f (%6.1f %6.1f) %d %6.1g traitee (%d)%3d%3d%3d (%d) %7.3f %6.1f (%6.1f %6.1f) %d %6.1g nulle exist_hkl (%d) %d %d %dgen_hkl(xnd_hkl.c)make_hkl(xnd_hkl.c)orienorienderivderiv %d hkl (%d non nuls, %d generes)  Catan(%f,%f) : singular z == i Ctan(%f,%f) : answer < half precision, z^2 close to -1 Catan2(%f,%f) both args are zero Ctan(%f,%f) : singular Pi/2 and z.i==0 Ctan(%f,%f) : answer < half precision, abs(z.r) too big or z too near Pi/2 ??>p@@gA>XBIB@@BRA@l"FlDLjpI function #%d used for %s : P%d(z) =prefered orientationline profile orientation dependenceinvalid polynomial choice %+f z%d orientationND]DlD{DDDcif_out (xnd_cif.c)cif_info Generating %s file rread CIF info file %d %8s %d %f %f %d %f %d %f %f %d Generating %s file without standard deviation areal CIF filewreal CIF file.cif.mapwreal CIF file#================================================= # lines generated to be copied into a CIF # procedure in test # please, do not use with expended parameters #================================================= _cell_length_a_cell_length_b_cell_length_c_cell_angle_alpha_cell_angle_beta_cell_angle_gamma#================================================= data_'%s' CHEMICAL DATAPOWDER SPECIMEN AND CRYSTAL DATA# Composite structure items _exptl_crystal_type_of_structure 'comp' _cell_subsystem_number 2 _cell_modulation_dimension 1 _cell_reciprocal_basis_vect_number 4 loop_ _cell_subsystem_code _cell_subsystem _cell_subsystem_matrix_W_1_1 _cell_subsystem_matrix_W_2_2 _cell_subsystem_matrix_W_3_3 _cell_subsystem_matrix_W_3_4 _cell_subsystem_matrix_W_4_3 _cell_subsystem_matrix_W_4_4 BASIS '1-st subsystem' 1 1 1 0 0 0 # following cell is associated with the BASIS subsystem CELL%-20s %8f _cell_volumeEXPERIMENTAL DATA_computing_structure_refinementREFINEMENT DATA# xnd uses %d experiments, following values are related to the whole data # xnd uses %d phases, following values are related to the whole data _pd_proc_ls_profile_function voigt _pd_proc_ls_prof_wR_factor %.3f _pd_proc_ls_prof_R_factor %.3f _pd_proc_ls_prof_wR_expected %.3f _refine_ls_goodness_of_fit %.3f _pd_proc_number_of_points %d _refine_ls_number_parameters %d _refine_ls_R_I_factor %.3f _refine_ls_R_F_factor %.3f _diffrn_reflns_number_of_classes %d loop_ _diffrn_reflns_class_code _diffrn_reflns_class_description %s%d Set_ loop='%s' allow='%s' deny='%s' _diffrn_reflns_number_of_classes %d loop_ _refine_ls_class_code _refine_ls_class_R_I_factor _reflns_class_R_I_number_of reflns _reflns_class_sum_of_I _refine_ls_class_R_F_factor _reflns_class_R_F_number_of reflns %s%d Set_ %5.3f %4d %8.3g %5.3f %4d ATOMIC COORDINATES AND DISPLACEMENT PARAMETERSloop_ _atom_site_label _atom_site_subsystem_code _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_displace_modulation_flag _atom_site_type_symbol %-6s %-6s BASISCOMPO %12s Uiso %-12s Uani %6f no yes %s loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 %-6s % #8f %-12s # Modulation parameters loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 %12sVECTOR loop_ _atom_site_aniso_label _atom_site_subsystem_code _atom_site_displace_Fourier_axis _atom_site_displace_Fourier_wave_vector_seq_id _atom_site_displace_Fourier_sin _atom_site_displace_Fourier_cos %-6s %-6sBASISCOMPO %c %d %12s MOLECULAR GEOMETRY_geom_special_details?POWDER PROFILE#================================================= # %d. %s %-20s '%s' %-20s %s % #6fcif_format(xnd_cif.c) % #.0f(% #.0f) % #f(%f)% #.*f(%d)_symmetry_cell_setting'cubic'_symmetry_cell_setting'quatratic'_symmetry_cell_setting'hexagonal'_symmetry_cell_setting'trigonal'_symmetry_cell_setting'orthorhombic'_symmetry_cell_setting'monoclinic'_symmetry_cell_setting'triclinic'# %s %s loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz %2d -+%.0f%c-+%d/%d%ccif_search_bondsloop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag # unitary cell content of %s .%s %8.3f %8.3f %8.3f %d%d_%d%d%d%s(%c%d_%d) %8.3f %8.3f %8.3f %6s %6s %6s %8.3f ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_site_symmetry_1 _geom_site_symmetry_3 _geom_angle _geom_angle_publ_flag %6s %6s %6s %6s %6s %8.2f ? get_keys(xnd_key.c)unexpected type1 in get_keys(xnd_key.c), please report! %[@] no key %s unexpected key %s != %s Query mode for key '%s' : token '%s' = %d token '%s' = %f %s initialised not token '%s' = '%s' %s initialised not%s%-10s %s%-10s key @=; %d %s = %d ;; %f %s = %f ;; %s %s = '%s' ;' %s = '%s' ;unexpected type2 in get_keys(xnd_key.c), please report!unexpected type2 in get_keys(xnd_key.c), please report!; key_word '%s' with value '%s' not recognised in key @%s = get_keys(xnd_key.c) @%s @%s ; %s%s = %d%s%s = %f%s%s = %s%s%s = '%s'%s%s = %sunexpected type in new_keys(xnd_keys.c), please report! int_dist_lambda npos %d amo %d %f %f ini_blk (xnd_blk.c) Relative coordinates of atoms in block #%d atomesrelatvarvarvarici 81 r_siz %d %6s x %7.4f y %7.4f z %7.4f t %7.4f bij %f %f %f %f %f %f b %f ini_blk (xnd_blk.cinter_back(xnd_bac.c)backbackspline_back(xnd_bac.c)backback Spline back_ground : Element de matrice diagonal nul #%d Y(%d) %g %c M(%d) %g %c inversion Spline SPLINE %2d yb = %f d3 %+f d2 %+f d %+f, d=2t-%.3f poly_back(xnd_bac.c)ini_back_ground(xnd_bac.c)unsupported background modebrg_file (xnd_brg.c) R Bragg phaseno lines for Bragg calculation Too much Bragg lines for allocating memory : %d truncated at %d enable to allocate memory for Bragg calculation seek error in the Bragg file freaderror reading Bragg file at line %d 2theta qsort, see 'bragg_size' definition in xnd_ips.c#%s a %f # p h k l m%d 2theta i_obs i_calc ( f_a f_b )( fano_a fano_b ) w_l w_g as_1 as_3 mu orien cor d_hkl s_i %4d (%d)%3d - -%3d%3d -%3d - (%d) %7.3f %c %6.*f %6.*f (%7.*f %7.*f)(%7.*f %7.*f) %5.3f %5.3f % 5.2f% 5.2f %2d %4.2f %4.*f %6.*f %4.*f %6.2f%6.2f ASYM : %4d (%d)%3d%3d%3d (%d) %7.3f asym %5.2f is strong, meaningless points may appear ASYM : further warning not printed aCIF file# --------------------------------- # residual factor infos used by cif # --------------------------------- PHASE #%d brg_residual (xnd_brg.c) R Bragg phaseno lines for Bragg calculation seek error in the Bragg file error reading Bragg file at line %d PHASE #%d %s R_Bragg=%.4f (%3d hkl, S_I=%9.3g) Rw_B=%.4f (S_wI=%9.3g) %s R_Bragg=*** (%3d hkl S_I=%.1f) %*s Rf=%.4f (%3d hkl, Sf=%9.3g) Rwf=%.4f (S_wF=%9.3g) %*s Rf=*** (%3d hkl, Sf=%.1f) # %s %.4f %3d %9.3g ## %s ? 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Պt% ) )]& $3"tt Ptu Ttv Xtw Ǧ\tlѦ`tx ۦdthty ltz pt{ tt xt| |t} !t~ .t8t Bt5LtZVt `t jt ~  @ ,d  ħ Χe اv  @ 55 / ( 5t ?> I> S]vg q ) @@@t)$3"tt Ptu Ttv Xtw ˮ\tlծ`tx ߮dthty ltz pt{ ttxt| #|t} -t~ 7tAt Kt5UtZ_t it s}   @ ,d ï ͯ ׯe v   @   * 4 >t M> `> ov ttt@@ @   t   t@@ t@ uu3"rtt |Ptu Ttv Xtw \tl`tx dthty ltz pt{ ttxt| |t} t~ t t t5!tZ+t 5t ?I S ] g@ q{d   e v  @    t   %/v9 CT at ktu2@  v  $ (,)048 < @& c0nt.ASM xnd_rpha.c xnd_var.c xnd_use.c xnd_unc.c xnd_sym4.c xnd_sym.c xnd_swap.c xnd_sng.c xnd_sig.c xnd_sets.c xnd_rsym.c xnd_vio.c xnd_mini.c xnd_rex3.c xnd_rex2.c xnd_rex1.c xnd_ref.c xnd_rdif.cxnd_rd.c xnd_rcry.c xnd_rato.c xnd_r12.c xnd_r11.c xnd_prvo.c xnd_prps.c xnd_pro.c xnd_prlo.c xnd_prga.c xnd_pras.c xnd_prac.c xnd_pen.c xnd_num.c xnd_new.c xnd_mod.c xnd_moco.c xnd_rexp.c xnd_loop.c xnd_met.c xnd_mat.c xnd_main.c xnd_mag.c xnd_lst.c xnd_cal.c xnd_ips.c xnd_inc.c xnd_hkl.c xnd_dif.c xnd_der.c xnd_deb.c xnd_cplx.c xnd_cor.c xnd_com.c xnd_cif.c xnd_keys.c xnd_amo.c xnd_blk.c xnd_bac.c xnd_atom.c xnd_brg.c check_dif espece_luep_espespece fget_amorphenjibuffget_quasi_paris_quasinb_hkl read_phase phase_num txt_naturefprintffscanfprintffget_varget_keys current_sets sets_makeget_difget_adifl_atoml_radiall_phase list_fichbavardn_var read_remark tst_abort tst_alloc push_err_msg pop_err_msgmemsetstrcatstrcpy_ctypelect coord_fichpurge_crfget_phase_prof fget_crystalsize_twchar_tfpos_tFILEsintTYPE_VAR TYPE_SETS TYPE_DIFDAT TYPE_ANODAT TYPE_ATOMENDAT TYPE_COORD TYPE_PENAL TYPE_RADIAL TYPE_PHASE ptrdiff_ttime_tclock_ttmLECTtxt_ech txt_transit txt_qcelltxt_dist txt_radial xnd_rpha.c XND_DEF.HC:\BC5\INCLUDE\stdlib.hC:\BC5\INCLUDE\_defs.hC:\BC5\INCLUDE\_null.hC:\BC5\INCLUDE\stdio.hC:\BC5\INCLUDE\_nfile.hC:\BC5\INCLUDE\math.h xnd_t_dep.h xnd_t_var.h xnd_t_keys.h xnd_t_sets.hxnd_t_difdat.h xnd_t_atom.h xnd_t_penal.h xnd_t_phase.h xnd_vah.h xnd_fun.h xnd_msg.h XND_RDH.HC:\BC5\INCLUDE\string.hC:\BC5\INCLUDE\stddef.hC:\BC5\INCLUDE\ctype.hC:\BC5\INCLUDE\time.hvar_initvar var_ideriv var_valeurposvvalpar var_param var_derive var_shiftvar_newdeplace var_allowedcodeallowedafabs current_vardo_save var_ordervar_dim var_numbervar_iovar_idtempex_posex_par xnd_var.ctestformatargptrmsg chk_abortverbose_printfnbsizenameptr str_alloccontentltst_openmodenmsgfilecallocmallocfflushfopensprintfvsprintfterminestrlenva_list xnd_use.cC:\BC5\INCLUDE\ALLOC.HC:\BC5\INCLUDE\STRING.HC:\BC5\INCLUDE\stdarg.h add_print_uncpictxt gen_tds_0 uncoherentech_lpdebyebfnsymprofil_tds_hkll_coefs_coefw_effclambdaccsctds gen_tds_hklgen_uncoherentdl_effdl_maxdl_minresolwidthd_lambdaexplogsinsqrtcurrent_symgrpactl_diagl_experunc_modefiniminli tot_phasel_ondel_points temp_phasen_pts dif_nature fhkl_mult ini_metricu_equivsqrechelle exper_echelle phase_echellei_eclair temp_experminimumeclairpolar cell_volumessin_tcos_tcos_2t first_point do_plg_datavaldifx_valdifb_valdif ux_valdif ub_valdif add_dydp_val TYPE_SYMGRP TYPE_BRAGG TYPE_SCANF_INFO TYPE_EXPERcorlpixtdsjxtdstds_msg xnd_unc.c xnd_t_sym.h xnd_t_bragg.h xnd_t_scan.h xnd_t_exper.h XND_CAH.H XND_MEM.H P4_extinctionA4A_extinctionA4P_extinctionB4B_extinctionB4P_extinctionC4C_extinctionC4P_extinctionL4A_extinctionL4B_extinctionL4C_extinctionL4F_extinctionL4I_extinctionL4P_extinctionM4A_extinctionM4B_extinctionM4C_extinctionM4F_extinctionM4I_extinctionM4P_extinctionN4A_extinctionN4B_extinctionN4C_extinctionN4F_extinctionN4I_extinctionN4P_extinctionLM4A_extinctionLM4B_extinctionLM4C_extinctionLM4F_extinctionLM4I_extinctionLM4P_extinctionMN4A_extinctionMN4B_extinctionMN4C_extinctionMN4F_extinctionMN4I_extinctionMN4P_extinctionLN4A_extinctionLN4B_extinctionLN4C_extinctionLN4F_extinctionLN4I_extinctionLN4P_extinctionU4O_extinctionU4Q_extinctionV4O_extinctionV4Q_extinctionW4O_extinctionW4Q_extinction R4_extinction ini_4D_error ini_4D_okini_4D_extinction local_pseudoqrat_sqdqrat current_modul_ftol TYPE_SATEL TYPE_MODULPS_CASE TYPE_PSEUDO xnd_sym4.c xnd_t_modul.hxnd_t_pseudo.hC_multiplicityQ_multiplicityH_multiplicityR_multiplicityT_multiplicityO_multiplicityM_multiplicityN_multiplicityL_multiplicityA_multiplicitydummy_multiplicityC_gen_holoedrekohoQ_gen_holoedreH_gen_holoedreR_gen_holoedreT_gen_holoedredummy_gen_holoedre A_extinction B_extinction C_extinction I_extinction F_extinction S_extinction R_extinction H_extinction P_extinctionini_3D_fhkl_multsymgrpbravaisini_3D_extinctionini_3D_multiplicityini_3D_gen_holoedre exist_hkl xnd_sym.cmemory_get_valptsmemory_set_valmemory_add_val swap_get_val swap_set_val swap_add_val memory_newn_parp_opointobsm memory_free memory_swap max_pointslect_disk_dydpdydp_dimf_size memory_adjust memory_filetmp memory_closerw_dydpoffset data_read data_write data_init file_mode data_start data_closefreefclosefreadfseekfwriterewindfloor disk_dydp get_dydp_val set_dydp_valTYPE_OBSdy_dpdydp_nb dydp_sizedydp_posdydp_maxdydp_mod dydp_file data_filedata_file_mode xnd_swap.c xnd_t_obs.hsgn_traite_hkldhkl_obszjjiidxpos sng_crystalt_sngiphase current_satell_indic pseudo_phasel_pseudo_phase prt_modsizehkl_fich hkldata_fichprt_hkln_expernt_diagmatricey_vectqcentrosystemeq_effg_aag_abg_acg_bbg_bcg_cc dim_centro deriv_atomm_bragg fab_deriv fabm_derivfhkl_2fhkl_effhkl_efffree_blk ini_anodif TYPE_RPRO TYPE_HKLOBSsng_dimsng_possng_dfdx xnd_sng.c xnd_t_rpro.hxnd_t_hklobs.h XND_SNH.H clear_err_msg set_err_msg dump_err_msgerrorsigcodmessage init_errorhandlerreallocsignal sig_atomic_terr_msg err_msg_nb err_msg_pos xnd_sig.cC:\BC5\INCLUDE\SIGNAL.H sets_analysesetssets_extinctionprevioustotalnaturel_sets sets_fgetresultloop_str allow_strdeny_strkey_namesets_newnumber rule_evaluateruleevalsets_analyse_error is_enclosedstringlevelget_prim get_oper1op_type op_string get_oper2right rule_analysecopy_streamssscanfnew_keys write_remarkstrstr TYPE_SETS_OPTYPE_SETS_RULE syntax_error current_errorcurrent_string xnd_sets.cC:\BC5\INCLUDE\CTYPE.Hnum_denofractnumdenofprint_xyz_posend_chardim2dimfirstcoef print_symcasnew_symanalyse_xyz_poslignel_symerrvalidcarligne_prangedigdivread_symngennopsholocopiecommentg_ordkeg_coefget_symmodelesym_fichmul_syms1s2dest ident_sym order_symtswap_symn4d4m_sym4m_syml_sym4fgetsceilnew_fichn_symmemcpystrcmpstrncpystrup xnd_rsym.c var_init_loopsavingprintloop_nb var_end_loop var_set_name var_get_linknombrencleargclekeynamenb_ptr allow_shiftn_var0keyokp_hklp_floathfnew_varij var_check over_rangesignifsigmasigma2dvalsvaldeplacshiftvaleurpremiermmvar_fputfixe printformattotdigitslgavalue var_allocold var_set_valuefval var_par_set var_adjust var_init_modemaskvar_realloc_tabledsizedsavedcleansavecleanlog10powcif_fich valid_refeps_stop val_sigmaprt_cif mode_codes var_position var_mode_maskdo_print xnd_vio.cmin_linmotifparabyx2xdeltapos_minpos_maxn_pospositiont_maxt_minot_effn_parabt_parhistoryprojresize_historyn_par0acoscycle max_cyclerelaxxt_eff opt_deplacen_matshift_eimprimeclockt_eff clock_min clock_now exper_loop y_history norm_history xnd_mini.c xnd_t_rbrg.hC:\BC5\INCLUDE\TIME.H write_hkldata hkl_file_rdfichi1i2 get_hkl_datatmpfile xnd_rex3.c analyse_datemoisdate get_f1b_datalecvarscalewscalesdivpasteffdt0smonoxmonosautl_infoidiag get_vdmi_datadummys_effeffnl_parncyncxneff get_mult_data disk_data write_chkread_chk xnd_rex2.c step_fichcompteurresbufferiscalemoniteurwscale0wscalescale0smono0dtfdtxdtdthetafdthetablkblocligtab_fichi3iwdthw get_real_data xnd_rex1.cxnd_datxnd_verxnd_host xnd_kernelxnd_refxnd_pub xnd_ref.cput_difdifdatprefix lecture_difmeml_difnomfataldif_fich lecture_anoprt_newn_dif xnd_rdif.c make_pathpathid path2progprog_idcrremptrlinelues get_tmpfilereasonstat_bufstat clean_remarksirem read_initargnargvexiterrnofputsscanfexperphasetitreplg_fich bragg_fich remark_fich end0_remark end1_remark dydp_name data_name remark_name c_marquardt tot_prof_parphase_prof_par marquardtn_phasen_penstrchrstrrchrtoupper read_exper get_11hdr new_11hdr get_12hdr new_12hdrdev_tino_tmode_tnlink_tuid_tgid_toff_txnd_rd.cC:\BC5\INCLUDE\sys\stat.hC:\BC5\INCLUDE\sys/types.hC:\BC5\INCLUDE\errno.h check_atomatom fget_distanglecoordp_0p_distn_setsrm_profmparpnamefget_phase_orien fget_vectorsmodsmag fget_magnetm_coefm_symgrpmodul fget_modul compo_sym4grp compo_symgrpnb0p_bondz_wave fget_atommax_asymp_oriennucl_symbig_cell nucl_symgrptxt_cell txt_orientxt_prof txt_pasymtxt_bloctxt_angl txt_vectortxt_diftxt_tds xnd_rcry.cinsidedprojdx atom_multxoinv_pinv_cverbosemultisymsym_coefs4atom_symm0sym4deno_taunum_tautauepsilonvzvyvxnnin atom_sitesym_nametermeconvertjkret_atom txt_atom_iso txt_atom_ani txt_modul txt_anharm3 txt_anharm4 txt_anharm5 txt_anharm6 xnd_rato.cvar_maskrem_xndtffilepos base_name def_relaxdef_stopdef_profpath_defcif_defplg_defhkl_defnew_deflst_defnew_asym def_repart def_width def_resoldef_rmaxdef_rminfreopenftellungetckey_modestr_timehostnew_nameplg_namehkl_namecif_name list_namemod_lsq back_mode voigt_mode asym_mode test_modeeps_prof bragg_repart asym_rmin asym_rmax asym_resol asym_widthprt_plgprt_corinit_asym_function key_mode_type xnd_r12.cget_init_paramitypepformapendivalnew_init_param_fputc xnd_r11.c voigt_valeurn1nuh2nh2drpypxtytxsysxryrx voigt_profilvoigt_dprof_dtvoigt_dprof_dgvoigt_dprof_dl ini_voigt influencew_xi_coefx_coefw_yy_coefdwx_dxdwx_dy prof_case xnd_prvo.c XND_PROF.H xnd_def.h xnd_cah.hpsvoigt_profilupsvoigt_dprof_dtpsvoigt_dprof_dgdgdlpsvoigt_dprof_dl ini_ps_intdi_dgdi_dldpdeg_pdr_dgdr_dlini_ps_wdx_dgdx_dlg ini_psvoigtdx_ldj_ldy_ldi_ldx_gdj_gdy_gdi_gdrho_dldrho_dgrhogama_psvoigt_profila_psvoigt_dprof_dta_psvoigt_dprof_dga_psvoigt_dprof_dlpoly_fprof_dt2j_coefdy_dgdj_dgdy_dldj_dlpv_ipv_ypv_jpv_xpv_dipv_dypv_djpv_dx xnd_prps.c def_profil ini_profilret_codeprofild_pill_instrul_asymtan_t orien_profcotan_2tsin_2ttan_tmphase_wgphase_wl sign_onde sign_instru0 sign_instru2 sign_phased_p_td_p_ld_p_gd_p_af_orienf_asymas_derivas_coefw_asymas_d asym_herm 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