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
...