Start a new project with uncalibrated data in ARIA .tbl format:

Take a look at the following examples and use the specified formats:

Format of the 2D .tbl files:
Your .tbl file contains lines like that:

assi ( attr store1 < 4.18 and attr store1 > 4.1 )
     ( attr store1 < 8.725 and attr store1 > 8.685 )
     6.0 0.1 0.1 peak 5 volume 0.000e+00 ppm1 4.140 ppm2 8.705
assi ( resid 26 and name HB3 )
     ( resid 26 and name HE21 )
     6.0 0.1 0.1 peak 3417 volume 2.285e+04 ppm1 1.929 ppm2 6.905


Format of the 3D .tbl files:
Your .tbl file contains lines like that:

assi ( attr store1 < 7.886 and attr store1 > 7.806 )
     (( attr store1 < 7.644 and attr store1 > 7.604 )
     and bondedto ( attr store1 < 112.56 and attr store1 > 111.56))
     6.0 0.1 0.1 peak 5 volume 0.000e+00 ppm1 7.846 ppm2 7.624
assi ( resid 5 and name HN )
     ( resid 5 and name HB# )
     6.0 0.1 0.1 peak 19 volume 7.142e+05 ppm1 8.328 ppm2 1.273


Format of the 2D or 3D .ppm files:
Your .ppm file contains lines like that:

do ( store1 = 4.140 ) ( resid 1 and name HA )



1. Edit the directory and file names:

Current ARIA program directory: 
Path of the new project:        
Run number:	                
SPECTRUM 1: Name:               
            .tbl file:		
            .ppm file:		

SPECTRUM 2: Name:               
            .tbl file:		
            .ppm file:		

SPECTRUM 3: Name:               
            .tbl file:		
            .ppm file:		

SPECTRUM 4: Name:               
            .tbl file:		
            .ppm file:		

SPECTRUM 5: Name:               
            .tbl file:		
            .ppm file:		
Sequence or PDB file:           
Unambiguous distance restraints:
Ambiguous distance restraints:  
Dihedral angle restraints:      
Karplus restraints 1:           
Karplus restraints 2:           
Karplus restraints 3:           
Karplus restraints 4:           
Karplus restraints 5:           
Residual dipolar couplings 1:   
Residual dipolar couplings 2:   
Residual dipolar couplings 3:   
Residual dipolar couplings 4:   
Residual dipolar couplings 5:   
Hbonds restraints:              
CSI file:                       
CSI dihedral restraints errors: 
TALOS pred file:                
TALOS error factor:             
TALOS minimum error:            
Segid of the protein:           


You have to specify absolute paths for all files and directories. Unused fields should be blank. You need to specify a sequence as a sequence or as a PDB file. The deltas for the chemical shifts in F1 and F2 have to be specified for every input spectrum. Be careful not to use pathnames with more than 80 characters (otherwise CNS will complain). If you don't have ambiguous data, leave the corresponding field blank.


2. Please save the updated parameters somewhere in a directory as new.html:





3. Type ARIA on the UNIX command line in that directory where you have saved your new.html.