In every run of DIFRAC during the question-and-answer session, answers to questions are written to a file <compid>.qan , where <compid> is the compound identification of the compound studied. On each line of this file is an integer code of 6 digits identifying the question, followed by up to 80 characters as typed in reply to the question. The table below gives the correspondence between the integer code and the question asked.
At the beginning of a run, DIFRAC looks to see if a file called <compid>.qan is present:
000020 Give a title - max 66 characters: 000040 Do you wish to display the contents of this file (Y,N)? 000060 Do you wish to display the contents of this file (Y,N)? <compid> 000080 Do you wish to display the contents of this file (Y,N)? <compid> 010020 Do you have refined cell dimension data (Y,N)? 010040 Enter a, b, c, alpha, beta, gamma in Angstroms and degrees: 010060 Enter s.u.s in a, b, c, alpha, beta, gamma: 010080 Enter cell volume and s.u. in cubic Angstroms: 010100 How were these cell dimensions measured? enter wavelength, temperature(k), 2theta-min, 2theta-max, number of reflections: 010120 Cell dimension data OK (Y,N)? 050020 Have you measured the density (Y/N)? 050040 Enter density, s.u. and temperature(K) of measurement: 050060 Density data OK (Y,N)? 100020 Make a choice for the shape of the crystal: 100040 Give sphere radius and s.u. in mm: 100055 How many indexed faces does the crystal have? 100060 Input one face per line: h,k,l,d, su(d). d and su(d) in mm. Finish with CTRL Z: 100080 Crystal shape OK (Y,N)? 150020 Enter Z, the number of formula units per cell: 150040 Enter chemical formula 150060 <chemical formula second line> 150080 Do you have a chemical analysis (Y/N)? 150100 Wt % and su of element: 150120 Do you have an observed value of the formula weight (Y/N)? 150140 Enter observed formula weight and s.u.(Daltons): 150160 Chemical formula data OK (Y,N)? 200020 Enter the melting-point temperature of the compound in K: 200040 Enter a description of the source of the chemical compound under study. If not known leave blank: 200060 Enter the trivial name of the compound. If not known leave blank: 200080 Enter the mineral name of the compound 200100 Chemical compound data OK (Y,N)? 250020 Enter the colour of the crystal: 250040 Enter a description of the crystal quality and habit 250060 Enter special details concerning the preparation or mounting of the crystal otherwise blank: 250080 Crystal data OK (Y,N)? 300020 Filter index xxx: 300040 Diffractometer attenuator data OK (Y,N)? 350020 Did you use a beta-filter(b) or a monochromator(m) (B,M)? 350040 Have you a measured value of the monochromator polarization ratio (Y,N)? 350060 Give polarization ratio and s.u.: 350080 Give monochromator 2-theta angle in degrees: 350100 Have you a measured value of the monochromator inhomogeneity half-width (Y,N)? 350120 Give inhomogeneity half-width(mm): 350140 Give beta-filter absorption edge wavelength(a): 350160 Diffractometer monochromator data OK (Y,N)? 400020 Have you a measured value of the counter dead time (Y,N)? 400040 Give measured dead-time and s.u. in microsecs: 400060 Counter dead time data OK (Y,N)? 450020 Enter temperature (k) and pressure during intensity measurement: 450040 Environmental conditions data OK (Y,N)? 500020 Enter the number of your name in the list: 500040 Enter your name as: family name(s) first name(s) or initials: 500060 Enter your address (5 lines): 500080 Enter your e-mail address: 500100 Enter your telefax number: 500120 Enter your telephone number: 500140 Name address data OK (Y,N)?