APPENDIX D – CSV Surface Format
The CSV Surface Format is a simple Comma Separated Values (CSV) file in which the field separator is the semicolon character (;) and uses the following format:
12345678901234567890123456789012345678901234567890123456789012345678901234567890123456789 NNNNNN; XXXXXX.XXXXXXXX; YYYYYY.YYYYYYYY; ZZZZZZ.ZZZZZZZZ; VVVVVV.VVVVVVVV; RRR; GGG; BBB NNNNNN <- Number of the atom associated to the surface dot (C: %6d, Fortran: i6) XXXXXX.XXXXXXXX <- X coordinate (C: %15.8f, Fortran: f15.8) YYYYYY.YYYYYYYY <- Y coordinate (C: %15.8f, Fortran: f15.8) ZZZZZZ.ZZZZZZZZ <- Z coordinate (C: %15.8f, Fortran: f15.8) VVVVVV.VVVVVVVV <- Property value projected to the surface dot (C: %15.8f, Fortran: f15.8) RRR <- Red component of the dot color (C: %3d, Fortran: i3) GGG <- Green component of the dot color (C: %3d, Fortran: i3) BBB <- Blue component of the dot color (C: %3d, Fortran: i3)
Example:
... 19; 6.75958252; 1.91035986; 1.95385861; 0.00207091; 0; 0; 255 19; 7.02752399; 2.00558615; 1.95385861; -0.00113359; 47; 255; 0 19; 7.08981323; 4.05955124; 1.76369834; 0.00192202; 87; 255; 0 19; 6.82545519; 4.15205383; 1.76369834; 0.00394259; 113; 255; 0 19; 6.82545519; 1.71330953; 1.76369834; -0.00801759; 0; 255; 42 19; 6.82479095; 4.32851887; 1.54213154; -0.00837863; 0; 255; 47 19; 6.54714155; 4.35586500; 1.54213154; -0.00651778; 0; 255; 23 19; 6.26949215; 4.32851887; 1.54213154; -0.00380767; 12; 255; 0 19; 6.00251293; 4.24753141; 1.54213154; -0.00061359; 53; 255; 0 19; 5.75646353; 4.11601543; 1.54213154; 0.00250929; 94; 255; 0 ... 48; 6.40636539; 3.02671599; 2.81072426; 0.03325002; 255; 12; 0 48; 6.60387897; 3.02671599; 2.79435802; 0.03198734; 255; 29; 0 48; 6.50512218; 3.19776773; 2.79435802; 0.03299629; 255; 15; 0 48; 6.30760860; 3.19776773; 2.79435802; 0.03386965; 255; 4; 0 48; 6.20885181; 3.02671599; 2.79435802; 0.03395212; 255; 3; 0 48; 6.30760860; 2.85566425; 2.79435802; 0.03302151; 255; 15; 0 48; 6.50512218; 2.85566425; 2.79435802; 0.03195009; 255; 29; 0 48; 6.79600477; 3.02671599; 2.74570513; 0.03010002; 255; 53; 0 48; 6.74380302; 3.22153568; 2.74570513; 0.03116508; 255; 39; 0 48; 6.60118484; 3.36415362; 2.74570513; 0.03226105; 255; 25; 0 ...