Re-running analysis...
dSNAPAuto-mode run started at 15/02/2006 13:58:08
Started by user 'andrewp' on computer 'BAHEIJ' in domain 'CHEMISTRY'.
Pattern data directory: C:\_andy\_papers\dsnap_2\new\results\d\SelectedSamples.dat\
dSNAP working & output directory: C:\_andy\_papers\dsnap_2\new\results\d\da\
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 (  11,  11) has been generated from an input data matrix of   11 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 11 hits
          -------------------------------------------

 All eigenvalues less than 0.0 are set to 0.0

 There are approximately 5 clusters

    n  Eigenvalue  Cumulative proportion  Change

    1   0.52744           0.49928         0.00000
    2   0.16891           0.65917         0.67976
    3   0.15061           0.80174         0.10833
    4   0.09788           0.89440         0.35012
    5   0.06157           0.95268         0.37090
    6   0.03556           0.98635         0.42243
    7   0.01060           0.99638         0.70198

 The Pearson correlation coefficient between observed and calculated distance matrices is 0.951
 The probability of this occuring by chance is  0.000
 The Spearman correlation coefficient between observed and calculated distance matrices is 0.942
 The probability of this occuring by chance is  0.000

 MMDS complete.

 Current cpu time is    83.98s

                    Dendrogram generation for 11 hits
                    ---------------------------------

 Program will use the group average link method.    

 Top 11 amalgamation steps:

 Clusters joined  Similarity level   Minimum distance   Number of clusters  Sum of squares  Similarity   n1   n2
       1       4     79.8000               0.2020             10               11.619        100.00000    1    1
       2       9     76.0000               0.2400              9                9.210         79.80000    1    1
       5       6     70.8000               0.2920              8                7.672         76.00000    1    1
       1       3     70.4000               0.2960              7                6.181         70.80000    2    1
       2      11     69.4500               0.3055              6                4.386         70.40000    2    1
       7       8     67.9000               0.3210              5                3.311         69.45000    1    1
       2       7     62.8500               0.3715              4                2.241         67.90000    3    2
       2       5     57.5200               0.4248              3                1.351         62.85000    5    2
       2      10     53.8857               0.4611              2                0.724         57.52000    7    1
       1       2     47.7625               0.5224              1                0.273         53.88571    3    8
 The dendrogram cut point is set at  0.34625

 Dendrogram analysis complete

 Current cpu time is    83.98s


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

           Hit no.  Cluster Silhouette
                7      2      0.215 *
                8      2      0.172 *
            ~~~~~~~~~~~~~~~~~~~~~~~~~
                5      3      0.292 *
                6      3      0.268 *
            ~~~~~~~~~~~~~~~~~~~~~~~~~
                2      4      0.405 *
                9      4      0.309 *
               11      4      0.269 *
            ~~~~~~~~~~~~~~~~~~~~~~~~~
                1      5      0.424 *
                4      5      0.423 *
                3      5      0.323 *
            ~~~~~~~~~~~~~~~~~~~~~~~~~
 Possible problem entries are flagged with an asterix (*)


 Silhouettes complete.

 Current cpu time is    83.98s
 User name is: andrewp                       
 Hostname is: BAHEIJ                        

 Log file closed at local time: 13:58:10 and date: 15-Feb-2006
 (The time difference with respect to GMT (UTC) is:   +0 minutes.)

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


Original dendrogram saved as C:\_andy\_papers\dsnap_2\new\results\d\da\dendrogram_original.dat

Initial Program group assignments

Listing group members...

The current clusters at cut-level 0.654:

Group A (3):
Sample #     1:	ABODUQ_01               
Sample #     4:	MUQXIF                  
Sample #     3:	GAJTIV                  

Group B (3):
Sample #     2:	ABODUQ_02               
Sample #     9:	VEPYAQ_01               
Sample #    11:	VIYKET                  

Group C (2):
Sample #     7:	SAMPCO10                
Sample #     8:	TUTHOF                  

Group D (2):
Sample #     5:	PACFII_01               
Sample #     6:	PACFII_02               

Group E (1):
Sample #    10:	VEPYAQ_02               



Previous dendrogram saved as C:\_andy\_papers\dsnap_2\new\results\d\da\dendrogram_modified.dat

User manually changed dendrogram at 15/02/2006 15:18:55
Listing group members...

The current clusters at cut-level 0.654:

Group A (3):
Sample #     1:	ABODUQ_01               
Sample #     4:	MUQXIF                  
Sample #     3:	GAJTIV                  

Group B (3):
Sample #     2:	ABODUQ_02               
Sample #     9:	VEPYAQ_01               
Sample #    11:	VIYKET                  

Group C (2):
Sample #     7:	SAMPCO10                
Sample #     8:	TUTHOF                  

Group D (2):
Sample #     5:	PACFII_01               
Sample #     6:	PACFII_02               

Group E (1):
Sample #    10:	VEPYAQ_02               


