Re-running analysis...
dSNAPAuto-mode run started at 16/02/2006 18:36:46
Started by user 'andrewp' on computer 'BAHEIJ' in domain 'CHEMISTRY'.
Pattern data directory: C:\_andy\_papers\dsnap_2\new\results\a\ab\SelectedSamples.dat\
dSNAP working & output directory: C:\_andy\_papers\dsnap_2\new\results\a\ab\abb\
Known phases data directory: <None>


Starting cluster analysis with options - Clustering: group average link method (Verbose Mode: 0 Debug Mode:0).

No additional fragment geometries added to the hit list.

A distance matrix of dimension (  20,  20) has been generated from an input data matrix of   20 rows and   40 columns
Labels are present on the input file
When calculating the matrix, lambda =  2.0
Equal weights are applied to all columns

          Metric multidimensional scaling for 20 hits
          -------------------------------------------

 All eigenvalues less than 0.0 are set to 0.0

 There are approximately 6 clusters

    n  Eigenvalue  Cumulative proportion  Change

    1   0.57441           0.40200         0.00000
    2   0.35449           0.65009         0.38286
    3   0.25089           0.82567         0.29226
    4   0.08619           0.88599         0.65645
    5   0.06248           0.92972         0.27514
    6   0.04680           0.96247         0.25092
    7   0.02971           0.98326         0.36509
    8   0.01707           0.99521         0.42560

 The Pearson correlation coefficient between observed and calculated distance matrices is 0.959
 The probability of this occuring by chance is  0.000
 The Spearman correlation coefficient between observed and calculated distance matrices is 0.964
 The probability of this occuring by chance is  0.000

 MMDS complete.

 Current cpu time is   120.80s

                    Dendrogram generation for 20 hits
                    ---------------------------------

 Program will use the group average link method.    

 Top 20 amalgamation steps:

 Clusters joined  Similarity level   Minimum distance   Number of clusters  Sum of squares  Similarity   n1   n2
       8       9     97.3000               0.0270             19               28.560        100.00000    1    1
       4       8     90.6000               0.0940             18               25.764         97.30000    1    2
      11      12     89.5000               0.1050             17               22.960         90.60000    1    1
       4       7     88.4667               0.1153             16               21.416         89.50000    3    1
      18      19     85.4000               0.1460             15               18.702         88.46667    1    1
       5      15     84.5000               0.1550             14               16.642         85.39999    1    1
      13      18     82.7000               0.1730             13               13.963         84.50000    1    2
      10      17     81.3000               0.1870             12               12.349         82.70000    1    1
      11      14     81.2000               0.1880             11               10.630         81.30000    2    1
      10      13     79.3833               0.2062             10                9.100         81.20000    2    3
       5      20     76.3000               0.2370              9                7.577         79.38333    2    1
       4      11     75.9917               0.2401              8                6.257         76.30000    4    3
       2      16     74.2000               0.2580              7                4.996         75.99167    1    1
       2      10     70.0300               0.2997              6                3.924         74.20000    2    5
       1       2     69.6429               0.3036              5                2.926         70.03000    1    7
       4       5     63.7238               0.3628              4                2.052         69.64286    7    3
       1       6     58.9000               0.4110              3                1.257         63.72381    8    1
       1       4     58.1344               0.4187              2                0.695         58.90000    9   10
       1       3     49.0474               0.5095              1                0.260         58.13444   19    1
 The dendrogram cut point is set at  0.30164

 Dendrogram analysis complete

 Current cpu time is   120.80s


             Generation of silhouettes
             -------------------------

           Hit no.  Cluster Silhouette
               15      4      0.544
                5      4      0.497 *
               20      4      0.416 *
            ~~~~~~~~~~~~~~~~~~~~~~~~~
               19      5      0.453 *
               17      5      0.405 *
               10      5      0.365 *
                2      5      0.357 *
               18      5      0.349 *
               13      5      0.326 *
               16      5      0.092 *
            ~~~~~~~~~~~~~~~~~~~~~~~~~
                9      6      0.588
                8      6      0.567
                7      6      0.536
                4      6      0.504
               11      6      0.441 *
               14      6      0.405 *
               12      6      0.383 *
            ~~~~~~~~~~~~~~~~~~~~~~~~~
 Possible problem entries are flagged with an asterix (*)


 Silhouettes complete.

 Current cpu time is   120.80s
 User name is: andrewp                       
 Hostname is: BAHEIJ                        

 Log file closed at local time: 18:36:48 and date: 16-Feb-2006
 (The time difference with respect to GMT (UTC) is:   +0 minutes.)

 ----------------------------------------------------------------------------------------------------


Original dendrogram saved as C:\_andy\_papers\dsnap_2\new\results\a\ab\abb\dendrogram_original.dat

Initial Program group assignments

Listing group members...

The current clusters at cut-level 0.698:

Group A (1):
Sample #     1:	AKENOT                  

Group B (7):
Sample #     2:	AKENUZ                  
Sample #    16:	XEDBUD_01               
Sample #    10:	OCAROZ                  
Sample #    17:	XEDBUD_02               
Sample #    13:	TONPAN                  
Sample #    18:	XEDCEO                  
Sample #    19:	XEDCOY_01               

Group C (1):
Sample #     6:	DEPLAL                  

Group D (7):
Sample #     4:	BEJSEO                  
Sample #     8:	MAHXUP                  
Sample #     9:	MAHZUR                  
Sample #     7:	IWOLUB                  
Sample #    11:	PAJHUE                  
Sample #    12:	RAFZOO                  
Sample #    14:	XAZMEQ                  

Group E (3):
Sample #     5:	DEPKUE                  
Sample #    15:	XEDBEN                  
Sample #    20:	XEDCOY_02               

Group F (1):
Sample #     3:	ANSALB_03               



Previous dendrogram saved as C:\_andy\_papers\dsnap_2\new\results\a\ab\abb\dendrogram_modified.dat

User manually changed dendrogram at 16/02/2006 18:36:56
Listing group members...

The current clusters at cut-level 0.698:

Group A (1):
Sample #     1:	AKENOT                  

Group B (7):
Sample #     2:	AKENUZ                  
Sample #    16:	XEDBUD_01               
Sample #    10:	OCAROZ                  
Sample #    17:	XEDBUD_02               
Sample #    13:	TONPAN                  
Sample #    18:	XEDCEO                  
Sample #    19:	XEDCOY_01               

Group C (1):
Sample #     6:	DEPLAL                  

Group D (7):
Sample #     4:	BEJSEO                  
Sample #     8:	MAHXUP                  
Sample #     9:	MAHZUR                  
Sample #     7:	IWOLUB                  
Sample #    11:	PAJHUE                  
Sample #    12:	RAFZOO                  
Sample #    14:	XAZMEQ                  

Group E (3):
Sample #     5:	DEPKUE                  
Sample #    15:	XEDBEN                  
Sample #    20:	XEDCOY_02               

Group F (1):
Sample #     3:	ANSALB_03               



Previous dendrogram saved as C:\_andy\_papers\dsnap_2\new\results\a\ab\abb\dendrogram_modified.dat

User manually changed dendrogram at 16/02/2006 18:37:03
Listing group members...

The current clusters at cut-level 0.658:

Group A (8):
Sample #     1:	AKENOT                  
Sample #     2:	AKENUZ                  
Sample #    16:	XEDBUD_01               
Sample #    10:	OCAROZ                  
Sample #    17:	XEDBUD_02               
Sample #    13:	TONPAN                  
Sample #    18:	XEDCEO                  
Sample #    19:	XEDCOY_01               

Group B (1):
Sample #     6:	DEPLAL                  

Group C (7):
Sample #     4:	BEJSEO                  
Sample #     8:	MAHXUP                  
Sample #     9:	MAHZUR                  
Sample #     7:	IWOLUB                  
Sample #    11:	PAJHUE                  
Sample #    12:	RAFZOO                  
Sample #    14:	XAZMEQ                  

Group D (3):
Sample #     5:	DEPKUE                  
Sample #    15:	XEDBEN                  
Sample #    20:	XEDCOY_02               

Group E (1):
Sample #     3:	ANSALB_03               



Previous dendrogram saved as C:\_andy\_papers\dsnap_2\new\results\a\ab\abb\dendrogram_modified.dat

User manually changed dendrogram at 16/02/2006 18:42:56
Listing group members...

The current clusters at cut-level 0.658:

Group A (8):
Sample #     1:	AKENOT                  
Sample #     2:	AKENUZ                  
Sample #    16:	XEDBUD_01               
Sample #    10:	OCAROZ                  
Sample #    17:	XEDBUD_02               
Sample #    13:	TONPAN                  
Sample #    18:	XEDCEO                  
Sample #    19:	XEDCOY_01               

Group B (1):
Sample #     6:	DEPLAL                  

Group C (7):
Sample #     4:	BEJSEO                  
Sample #     8:	MAHXUP                  
Sample #     9:	MAHZUR                  
Sample #     7:	IWOLUB                  
Sample #    11:	PAJHUE                  
Sample #    12:	RAFZOO                  
Sample #    14:	XAZMEQ                  

Group D (3):
Sample #     5:	DEPKUE                  
Sample #    15:	XEDBEN                  
Sample #    20:	XEDCOY_02               

Group E (1):
Sample #     3:	ANSALB_03               



Previous dendrogram saved as C:\_andy\_papers\dsnap_2\new\results\a\ab\abb\dendrogram_modified.dat

Initial Program group assignments

Listing group members...

The current clusters at cut-level 0.658:

Group A (8):
Sample #     1:	AKENOT                  
Sample #     2:	AKENUZ                  
Sample #    16:	XEDBUD_01               
Sample #    10:	OCAROZ                  
Sample #    17:	XEDBUD_02               
Sample #    13:	TONPAN                  
Sample #    18:	XEDCEO                  
Sample #    19:	XEDCOY_01               

Group B (1):
Sample #     6:	DEPLAL                  

Group C (7):
Sample #     4:	BEJSEO                  
Sample #     8:	MAHXUP                  
Sample #     9:	MAHZUR                  
Sample #     7:	IWOLUB                  
Sample #    11:	PAJHUE                  
Sample #    12:	RAFZOO                  
Sample #    14:	XAZMEQ                  

Group D (3):
Sample #     5:	DEPKUE                  
Sample #    15:	XEDBEN                  
Sample #    20:	XEDCOY_02               

Group E (1):
Sample #     3:	ANSALB_03               



Previous dendrogram saved as C:\_andy\_papers\dsnap_2\new\results\a\ab\abb\dendrogram_modified.dat

User manually changed dendrogram at 16/02/2006 18:52:06
Listing group members...

The current clusters at cut-level 0.658:

Group A (8):
Sample #     1:	AKENOT                  
Sample #     2:	AKENUZ                  
Sample #    16:	XEDBUD_01               
Sample #    10:	OCAROZ                  
Sample #    17:	XEDBUD_02               
Sample #    13:	TONPAN                  
Sample #    18:	XEDCEO                  
Sample #    19:	XEDCOY_01               

Group B (1):
Sample #     6:	DEPLAL                  

Group C (7):
Sample #     4:	BEJSEO                  
Sample #     8:	MAHXUP                  
Sample #     9:	MAHZUR                  
Sample #     7:	IWOLUB                  
Sample #    11:	PAJHUE                  
Sample #    12:	RAFZOO                  
Sample #    14:	XAZMEQ                  

Group D (3):
Sample #     5:	DEPKUE                  
Sample #    15:	XEDBEN                  
Sample #    20:	XEDCOY_02               

Group E (1):
Sample #     3:	ANSALB_03               


