A.10. 11 expl (D) Experimental Parameters
Packet Size - Variable (one packet per data set)
| IDN | Description |
| 1 | data set key (1 designates dataset 1, etc.) |
| 2 | wavelength (weighted mean) in Angstroms |
| 3 | wavelength line1 in Angstroms |
| 4 | wavelength line2 in Angstroms |
| 5 | wavelength line3 in Angstroms |
| 6 | relative weight wavelength line1 |
| 7 | relative weight wavelength line2 |
| 8 | relative weight wavelength line3 |
| 10 | linear absorption coefficient in 1/mm |
| 11 | sort mode applied by SORTRF |
| 12 | sorting order of hkl as slow/med/fast (312 is l slow, k fast) |
| 13-15 | a, b, c cell dimensions in Angstroms |
| 16-18 | cos , cos , cos |
| 19-21 | , , in cycles (2 = 1.0000) |
| 22 | cell volume |
| 23-25 | e.s.d. of a, b, c in 13-15 |
| 26-28 | e.s.d. of , , in 19-21 |
| 29 | e.s.d. of cell volume in 22 |
| 31 | sense of rotation of chi circle; +1 for clockwise, -1 anticlockwise |
| 32 | sense of rotation of phi circle1 |
| 33 | sense of rotation of theta or two theta circle |
| 34 | sense of rotation of omega circle |
| 35 | reflection scanning method used during data collection |
| 1= theta two theta 2= Wyckoff 3= omega | |
| 36 | hkl permitted sign pattern as packed word (0=-; 1=+) |
| 40 | diffractometer type (1 char) E=Enraf Nonius, G=GE-XRD, |
| H=Hilger Watts, P=Picker, S=Siemens (Nicolet/Syntex) | |
| T=Stoe, W=Philips, O=other. | |
| 41-49 | orientation matrix UB (11, 12, 13, ..., 33) |
| 50 | monochromator two theta angle (in degrees) |
| 51 | monochromator perfection factor (0 to 1.) |
| 52 | polarization ratio for incident beam on crystal Pperp/Ptotal |
| 53 | e.s.d. of polarization ratio |
| 54 | refinement weight of polarization ratio |
| 55 | dihedral angle between monochromator and diffraction planes |
| 56 | incident beam half width and intensity |
| 57 | polarization factor of source beam (0.0 to 1.0) |
| 81 | temperature of cell and intensity measurement in Kelvin |
| 82 | pressure of cell and intensity measurement in GPa |
| 85 | experimentally measured crystal density |
| 86 | e.s.d. of 85 |
| 87 | calculated crystal density |
| 88 | e.s.d. of 87 |
| 89 | wavelength of radiation used in cell refinement |
| 90 | number of hkl used in cell refinement |
| 91 | min theta for cell determination |
| 92 | max theta for cell determination |
| 93 | radiation used in cell and intensity measurement as an element symbol or source (20 chars) |
| 94 | type of radiation used in cell and intensity measurement (1=neutrons,2=electrons, 3=X-ray Mo K, 4=X-ray Cu K, 5=X-ray Ag K,6=X-ray synchrotron ) |
| 100 | number of scale groups |
| 101..100+n | F relative scale factor for scale group n (max=64) |
| 201..200+n | scale group numbers associated with the scale factors |
| 300 | Number of crystal faces |
| 301-303 | h, k, l of crystal face 1 |
| 304 | distance of crystal face 1 from centre in mm. |
| 305 | angle phi of crystal face 1 |
| 306 | angle chi of crystal face 1 |
| 307 | angle kappa of crystal face 1 |
| 308 | e.s.d. of distance (IDN 304) |
| 309 | weight of distance (IDN 304) in refinement |
| 311-319 | as for 301-309 for crystal face 2, up to 20 faces |
| 501-502 | min and max h for measured intensities before averaging |
| 503-504 | min and max k for measured intensities before averaging |
| 505-506 | min and max l for measured intensities before averaging |
| 507-508 | min and max  for measured intensities in degrees |
| 511 | intensity measurement method (40 chars) |
| 512 | radiation monochomator description (40 chars) |
| 513 | absorption method applied (40 chars) |
| 514 | intensity averaging process (40 chars) |
| 515 | intensity reduction process (40 chars) |
| 521 | total number of reflections measured |
| 522 | number of reflections after averaging of equivalents |
| 523 | averaged coefficient Y (1=F; 2=F2; 3=I) |
| 524 | R-factor of averaged coefficients (sum of Y diff)/(sum of Y) |
| 525 | (sum of sigma(Y))/(sum of Y) |
| 526 | absorption transmission T min |
| 527 | absorption transmission T max |
| 531-535 | criteria used for rcodes 1 to 5 (40 chars each) |
| 536-540 | number of reflections assigned rcodes 1 to 5 |
| 541 | radius of crystal sphere/cylinder in mm |
| 542 | e.s.d. of radius |
| 543 | refinement weight of crystal radius |
| 544 | length of crystal cylinder in mm |
| 545 | e.s.d. of crystal length |
| 546 | refinement weight of crystal length |
| 547 | counter dead time in microseconds |
| 548 | e.s.d. dead time |
| 549 | refinement weight of dead time |
| 550 | wavelength of beta-filter absorption edge |
| 551 | crystal size max in mm |
| 552 | crystal size mean in mm |
| 553 | crystal size min in mm |
| 560 | crystal colour (20 characters) |
| 561 | crystal shape (20 characters) |
| 601 | number of standard reflections |
| 602 | number of reflections measured between standards |
| 603 | standards decay ratio |
| 604 | time (in minutes) between standards |
| 610-612 | h, k, l of standard reflection 1 |
| 613-615 | h, k, l of standard reflection 2, up to 30 standards |
| 701 | number of attenuator filters |
| 702 | attenuator filter index for filter 1 |
| 703 | reciprocal transmission factor (> 1.0) for filter 1 |
| 704 | e.s.d. in rec. transmission factor for filter 1 |
| 705 | refinement weight of rec. transmission for filter 1 |
| 706-709 | like 702-705 for filter 2 |
| 1 See program ABSORBfor the definition of angles. | |