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CYZJZSQ;Cu PCPHJHQHQJHQJCV@RTYu V-Y3^[]Ã$ TD$ SVWUQ=CtX5C$Nn\ |0Ћ+RY+ы+ƉFRWWYM}Ѓ<$t4$Z]_^[CUQSVWM Uƒ s ;uE0t 8;3}tI0;5Crpu;Cu p5Cpx~px~0d0É+rh؋ЃSL;CsC}tU CQJHPHABSE3_^[Y]UQSVWu ]u SMY3Zu VFYMVSt;SUV%Yt&U ;rE0VSW~ SY_^[Y]UEu3]Ã]UEPY]UEPY]US=Cu%Dtu C C@]CKH#jh SjNU u3[]ËU[]USVWu ]t6jhhSu+SW#3uʸ_^[]ÐUh@E PURHt3]ø]ÐUhjEPHt3]ø]CUSVUE 3 @ BF;5hDr^[]ÐUSVW}} w4} 5hDVWdDVWu ] hDNVSdD~ VSdWSdD~ WSKVWdD~ VW0} uSW hDljE&}uEPShDU;vYhDWSdDE~;v9VWdDE}+5hDVS}thD+;w;wWSdDhDӋ+hDUEPVchD)E;usU;Us܋Ë hD+E3E 3+E ;u vM QSAu BVW/1_^[]ÐUEhDtUM QdDEP]UE 3]Q3$f%ƀu ZËRh~Y@P~Y؅u hCMY3V+ыʃ^ޡ D D D_^[]UjEPB]Sh Y؉Cu hCYhCPj[ÐCPYUSVW] u|_^[ÐUEP]]ÐUE URHlQRHQPRH QP CQ@CPhCURM(]UShCEX DPS []UEPYPY]UQSVW]3ҋù<t Dù<33ҋù<V3ҋù<3ҋùйiV3҃FFEF8"u;rQYEF+փ} t@=Ct7NÃ3QjPù3Rpt F C3F 3ҹV3ҋùù3҉FECEVFu 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 WIN32 : waiting for Enter(s) in the window on keyboard 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 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 exper_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 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! 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) ??>p@@gA>XBIB@@BRA@l"FlDLjpI function #%d used for %s : P%d(z) =prefered orientationline profile orientation dependenceinvalid polynomial choice %+f z%d orientation}C}C}C}C}C}Ccif_out (xnd_cif.c)cif_info Generating %s file rread CIF file %d %8s %d %f %fwCIF 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 DATACELL%-20s %8f _cell_volumeEXPERIMENTAL DATA_computing_structure_refinementREFINEMENT DATA# xnd uses %d experiments, 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 ATOMIC COORDINATES AND DISPLACEMENT PARAMETERSloop_ _atom_site_label _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 %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 loop_ _atom_site_aniso_label _atom_site_displace_Fourier_axis _atom_site_displace_Fourier_sin _atom_site_displace_Fourier_cos %-6s MOLECULAR GEOMETRYPOWDER PROFILE#================================================= # %d. %s %-20s %s % #8fcif_format(xnd_cif.c) % #.0f(% #.0f) % #f(%f)% #.*f(%d)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 %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) r.krE_FOPEN Failed in opening file '%s' : '%s' coordinatesE_HDR Failed reading header in opening file '%s' : '%s' 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 vecteurmatriceCCCCC CCCC!C%C*C/C3C7C %[^; ]%*[; ]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 CCCCCCCęCǙCəC˙C͙CϙCҙC֙CڙCޙCCCCCCCCCCCC C CCCC!C&C+C0C5C:C?CDCJCPCVC\CbChCnCtCzCCCCCCCCCCCCȚCϚC֚CݚCCCCCCCCCC#C*C1C9CACICQCYCaCgCmCsC{CCCCCCCCCÛC˛CӛCۛCCCCCXYZOcBisoKxKyKzRXYZOcb11b22b33b12b13b23KxKyKzRS_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 %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_semicolumn 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 be NOT be generated : 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 pseudoAssymetry 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 asymetry functions code %d implies : odd derivative of gaussian odd power expansion with gaussian too much asym functions required max(%d)instrumental uses S/L ... and phases power adjustment profile table for asymetry convolutiondef_asym(xnd_prac.c)convol asym need 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=%dMon Mar 27 12:16:33 METDST 2000XND 1.20host 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 %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 invalideini_metric ok lambda %d %f p=%d l_points %x %f act %X p=%d ech_lp %f for profil_tds_hkl(xnd_unc.c) tds %f s %f l_coef %f s_coef %f tds_hkl gen_tds_hkl HKL %d %d %d w_eff %f Ib %f 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 site : fseek do not succed fsekk error solved %d, mean %d on %d fseek xnd_site.c 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_COMPOCCCCCCCCCCScaleBoT_oD_TExpCentr.ACDistInt00%d %d distrib_radiales nb_dist <= 0radial Distribution #%d %d %d points de definition %s %s %s DISTRIB %2d %.3f Distances non-croissantes%d%d %d profile coef %d lines too much coefs for such phase (>1)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 8C>CCCICOCTCZC`CfClCtC{CCCCCCCCCCLamdaInt.WlT-tWgT-tZeroPolarTmonoS_EclTasymAbs_cylAbs_plWl0Wg0Wl_T2Wg_T2ResolA_T2A_TASH_LS_LVerif 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 MAGNETIQUES???single crystalpowderReflexion SymReflexion AssymReflexion LineaireReflexion BananeTransmission???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 LAMBDABGROUNDBGROUNDSETTINGINSTRUINSTRUAS_CNVASYMLAMBDAE_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_fichvar_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%f %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 (%2d %10.6f) ( ) %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 %8.3f %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)BBCCVBTCBBCC**BCCxh1eBBsBBBBCq<sB__GetExceptDLLinfoStack Overflow!  2```@CTMP.$$$CC C&C5CIC[CkCCCCCCCCCC4CDCRCcCtCCCCCCC C!C.CDCSC_CmC~CCCCCCCC4CJCXChCwCxC1Error 0Invalid function numberNo such file or directoryPath not foundToo many open filesPermission deniedBad file numberMemory arena trashedNot enough memoryInvalid memory block addressInvalid environmentInvalid formatInvalid access codeInvalid dataBad addressNo such deviceAttempted to remove current directoryNot same deviceNo more filesInvalid argumentArg list too bigExec format errorCross-device linkToo many open filesNo child processesInappropriate I/O control operationExecutable file in useFile too largeNo space left on deviceIllegal seekRead-only file systemToo many linksBroken pipeMath argumentResult too largeFile already existsPossible deadlockOperation not permittedNo such processInterrupted function callInput/output errorNo such device or addressResource temporarily unavailableBlock device requiredResource busyNot a directoryIs a directoryFilename too longUnknown error:      w+b(null)       C),(((((),(((),#,*((((**#(#%(*,*** &*#0 * \/.CCCCCCCCCC. !!!!! @@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@ 5h!?@acosasin cosexploglog10?pow sin sqrt tanCCCCprintf : floating point formats not linkedscanf : floating point formats not linked2TCCXC_CdCmCwC}CDOMAINSINGOVERFLOWUNDERFLOWTLOSSPLOSS-INF+INF-NAN+NAN%s: %s error?@@@@ @P@$@@ @4@p+ŝi@զIx@GA~QCǑF uuvHM]=];Z R`%u@ CCC %02d/%02d/%04d %2d:%02d:%02d.%02d kernel32.dllGetProcAddressBorland32Abnormal program terminationt?Ct?Ct?CCCNo space for copy of command lineNo space for command line argument vectorNo space for command line argumentOut of memory in _setargv0Could not allocate memory for environment block  %s %s %02d %02d:%02d:%02d %4d%s CCCCCCCCCCCCCCCCCCC C CCCCC!C%C-C6CCt@C0CC ECtJCLCPCBB7CBChCCCC?d3?H?d3?5h!?5h!?B<.:LZr(:L\l 2D`p~.:LZr(:L\l 2D`p~KERNEL32.dllUSER32.dllGetModuleHandleADeleteFileAEnterCriticalSectionCloseHandleFileTimeToLocalFileTimeFileTimeToSystemTimeFindCloseFindFirstFileACreateFileAGetCurrentDirectoryAGetCurrentThreadIdGetDriveTypeAGetEnvironmentStringsGetFileAttributesAGetFileTypeGetFullPathNameAGetLastErrorGetLocalTimeGetCommandLineAExitProcessGetProcAddressGetStartupInfoAGetStdHandleGetTickCountGetTimeZoneInformationGetVersionGlobalMemoryStatusInitializeCriticalSectionLeaveCriticalSectionRaiseExceptionReadFileRtlUnwindSetConsoleCtrlHandlerSetFilePointerSetHandleCountUnhandledExceptionFilterVirtualAllocVirtualFreeWriteFileGetModuleFileNameAMessageBoxAEnumThreadWindowsP ( 8 H tX o   xnd.exe@__lockDebuggerData$qv@__unlockDebuggerData$qv__DebuggerHookData__GetExceptDLLinfo0 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