use strict;
use Statistics::Regression;

my $dat= [
           ['856.34',
             [1,'-0.0479751103654345',0,0,0,'0.4853633942',0],
             '1'], #########################################deleted data
           ['881.013',
             [1,'-0.79782237464122',0,'-0.1930515976',0,'0.4516982286',0],
             '3.33333333333333'],
           ['866.843',
             [1,'-0.319727898877664','-0.198938099451931','-0.212908396750692',0,'0.496626133278315','0.0185623780728314'],
             '1.42857142857143'],
           ['848.472999999999',
             [1,'-0.581850455373487','-0.350642242052491','-0.218496476154613',0,'0.496465397407948','0.0388616059684357'],
             '1'],
           ['858.672999999999',
             [1,'-0.709456421859156','-0.357527178152983','-0.231135200648872',0,'0.497178585493374','0.0297700644693172'],
             '0.714285714285714'],
           ['835.103',
             [1,'-0.867395752212656','-0.512727944626281','-0.212605862478697',0,'0.496490394800761','0.0595450785771177'],
             '0.769230769230769'],
           ['847.903',
             [1,'-1.39427324871796','-0.426131838425492','-0.2487524048',0,'0.4615746844','0.0331654126394953'],
             '1.25'],
           ['803.663',
             [1,'-0.75274600224851','-0.814853231598093','-0.209394210969967',0,'0.496467052883573','0.100946360611186'],
             '0.833333333333333'],
           ['786.693',
             [1,'-0.859846519346464','-0.958825930870333','-0.213575739433027',0,'0.49646186824546','0.121702942339576'],
             '0.909090909090909'],
           ['754.753000000002',
             [1,'-0.80682766866236','-1.26383490804369','-0.213814363604037',0,'0.496469910237218','0.16315862816037'],
             '0.769230769230769'],
           ['1714.606',
             [2,'-0.158832066674353',0,0,'-0.2446178668','0.976757906',0],
             '1.25'],
           ['1719.336',
             [2,'-0.881222622985059',0,'-0.299485468999269',0,'0.994918112063065',0],
             '0.666666666666667'],
           ['1738.666',
             [2,'-0.414955387374414','-0.0457899548683601','-0.37215732261951',0,'0.993168987106117','0.0104080124127853'],
             '1.66666666666667'],
           ['1725.926',
             [2,'-0.990557053237703','-0.0856030681055609','-0.422706282461159',0,'0.992277143298838','0.0497063459342983'],
             '0.769230769230769'],
           ['1701.486',
             [2,'-1.90404469843335','-0.171278765058646','-0.43690132111708',0,'0.99457712519172','0.0542922615512344'],
             '0.555555555555556'],
           ['3371.782',
             [4,'-0.519604798239896',0,'-0.404192765945356',0,'1.96565742940298',0],
             '-1']];#########################################deleted data

my @var_names = qw ( E(CN_3) electrostatic CC_1 CC_1<CN_3>1 CC_1<CN_3>2 CN_3 HH5-5);
my $reg = Statistics::Regression->new(7, "semiempirical_scheme", \@var_names);
foreach my $obs_dat (@$dat) {
  $reg->include( @$obs_dat );
}
#$reg->dump;
print $reg->sigmasq();
=exclude
my $dat1= [
          [
            '809.4',
            [0,1,0,'-0.138796933139339',0,0,0,0,0,0,'0.4700940716',0,'0.000790034241320516'],
            '1.42857142857143'
          ],
          [
            '816.23',
            [0,1,0,'-0.503813682047876','-0.1506654988',0,0,0,0,0,'0.4789546546',0,'0.000540554199631543'],
            '1.42857142857143'
          ],
          [
            '799.46',
            [0,1,0,'-0.274679944693969','-0.309088056878477',0,0,0,0,0,'0.478359982916086',0,'0.0192606701007923'],
            '1.25'
          ],
          [
            '818.96',
            [0,1,0,'-0.319516715643964','-0.279226699754935',0,0,0,0,0,'0.445493119928704',0,'0.000526855704668568'],
            '0.909090909090909'
          ],
          [
            '783.990000000001',
            [0, 1, 0, '-0.431628055097985','-0.461749425530914',0,0,0,0,0,'0.47811882697231',0,'0.0393736970105799'],
            '0.5'
          ],
          [
            '803.490000000001',
            [0, 1,0,'-0.480386389357497','-0.443283780133323',0,0,0,0,0,'0.487064200138301',0,'0.0193463711505988'],
            '0.5'
          ],
          [
            '791.290000000001',
            [0,1,0,'-0.887835958077148','-0.437240517196072',0,0,0,0,0,'0.47829062284392',0,'0.0305387752555485'],
            '0.5'
          ],
          [
            '785.320000000001',
            [0,1,0,'-1.66657149337387','-0.506354543539023',0,0,0,0,0,'0.4626522548',0,'0.0340136956533319'],
            '0.4'
          ],
          [
            '856.34',
            [0,0,1,'-0.0479751103654345',0,0,0,0,0,0,0,'0.4853633942',0],
            '-1'  #####################################deleted molecule HCN
          ],
          [
            '881.013',
            [0,0,1,'-0.79782237464122',0,0,0,'-0.1930515976',0,0,0,'0.4516982286',0],
            '3.33333333333333'
          ],
          [
            '866.843',
            [0,0,1,'-0.319727898877664','-0.198938099451931',0,0,'-0.212908396750692',0,0,0,'0.496626133278315','0.0185623780728314'],
            '1.42857142857143'
          ],
          [
            '848.472999999999',
            [0,0,1,'-0.581850455373487','-0.350642242052491',0,0,'-0.218496476154613',0,0,0,'0.496465397407948','0.0388616059684357'],
            '1'
          ],
          [
            '858.672999999999',
            [0,0,1,'-0.709456421859156','-0.357527178152983',0,0,'-0.231135200648872',0,0,0,'0.497178585493374','0.0297700644693172'],
            '0.714285714285714'
          ],
          [
            '835.103',
            [0,0,1,'-0.867395752212656','-0.512727944626281',0,0,'-0.212605862478697',0,0,0,'0.496490394800761','0.0595450785771177'],
            '0.769230769230769'
          ],
          [
            '847.903',
            [0,0,1,'-1.39427324871796','-0.426131838425492',0,0,'-0.2487524048',0,0,0,'0.4615746844','0.0331654126394953'],
            '1.25'
          ],
          [
            '803.663',
            [0,0,1,'-0.75274600224851','-0.814853231598093',0,0,'-0.209394210969967',0,0,0,'0.496467052883573','0.100946360611186'],
            '0.833333333333333'
          ],
          [
            '786.693',
            [0,0,1,'-0.859846519346464','-0.958825930870333',0,0,'-0.213575739433027',0,0,0,'0.49646186824546','0.121702942339576'],
            '0.909090909090909'
          ],
          [
            '754.753000000002',
            [0,0,1,'-0.80682766866236','-1.26383490804369',0,0,'-0.213814363604037',0,0,0,'0.496469910237218','0.16315862816037'],
            '0.769230769230769'
          ],
          [
            '1714.606',
            [0,0,2,'-0.158832066674353',0,0,0,0,'-0.2446178668',0,0,'0.976757906',0],
            '1.25'
          ],
          [
            '1719.336',
            [0,0,2,'-0.881222622985059',0,0,0,'-0.299485468999269',0,0,0,'0.994918112063065',0],
            '0.666666666666667'
          ],
          [
            '1738.666',
            [0,0,2,'-0.414955387374414','-0.0457899548683601',0,0,'-0.37215732261951',0,0,0,'0.993168987106117','0.0104080124127853'],
            '1.66666666666667'
          ],
          [
            '1725.926',
            [0,0,2,'-0.990557053237703','-0.0856030681055609',0,0,'-0.422706282461159',0,0,0,'0.992277143298838','0.0497063459342983'],
            '0.769230769230769'
          ],
          [
            '1701.486',
            [0,0,2,'-1.90404469843335','-0.171278765058646',0,0,'-0.43690132111708',0,0,0,'0.99457712519172','0.0542922615512344'],
            '0.555555555555556'
          ],
          [
            '3371.782',
            [0,0,4,'-0.519604798239896',0,0,0,'-0.404192765945356',0,0,0,'1.96565742940298',0],
            '-1'   #########################deleted molecule C(CN)4
          ],
          [
            '1491.083',
            [1,0,1,'-0.404600646308825',0,0,'-0.190842777625125',0,0,'0.1864497944',0,'0.491792951776296','0.00612265767806277'],
            '0.588235294117647'
          ],
          [
            '1500.913',
            [1,0,1,'-0.807913869819405',0,'-0.117798234153802','-0.185517120504106',0,0,'0.1906710606',0,'0.491168381017079','0.0148623424215397'],
            '1'
          ],
          [
            '1494.213',
            [1,0,1,'-0.72337491310165',0,'-0.166250166239003','-0.185483913613068',0,0,'0.1879885601',0,'0.491557686340408','0.0154738350326939'],
            '1'
          ],
          [
            '1477.313',
            [1,0,1,'-0.552200396477402',0,'-0.152205986445429',0,'-0.204151584523951',0,'0.23550235218997',0,'0.496928214910314','0.0170135408638867'],
            '0.833333333333333'
          ],
          [
            '1483.643',
            [1,0,1,'-0.644574483609935','-0.230571140198345','-0.0766939923148542','-0.184689212123694',0,0,'0.188375586157146',0,'0.491125588291321','0.0342727613570734'],
            '0.833333333333333'
          ],
          [
            '1478.843',
            [1,0,1,'-0.586066976919576','-0.228847514267813','-0.123740326369326','-0.183253673255797',0,0,'0.186199338377908',0,'0.491573951797302','0.0350622554264396'],
            '0.909090909090909'
          ],
          [
            '1473.043',
            [1,0,1,'-0.844965116980691',0,'-0.302914656172933',0,'-0.204625313264783',0,'0.229248056451205',0,'0.496857728304016','0.0268897281881351'],
            '0.769230769230769'
          ],
          [
            '2361.306',
            [1,0,2,'-0.513118329697546',0,0,'-0.323903973971254',0,0,'0.1616504893',0,'0.981708164361536','0.00122937718290056'],
            '0.555555555555556'
          ],
          [
            '3210.829',
            [1,0,3,'-0.60332742588856',0,0,'-0.333764411452269',0,0,'0.1533022063',0,'1.47404676870092',0],
            '0.178571428571429'
          ],
          [
            '4056.152',
            [1,0,4,'-0.640688970313713',0,0,'-0.319393827873941',0,0,'0.1481229425',0,'1.96399605659042',0],
            '0.163934426229508'
          ]
        ];
my $VAR1=[
        ['809.4',
          [0,1,0,'-0.138796933139339',0,0,0,0,0,0,'0.4700940716',0,'4.21406943556685e-012'],
          '1.42857142857143'],
        ['816.23',
          [0,1,0,'-0.503813682047876','-0.1506654988',0,0,0,0,0,'0.4789546546',0,'5.59870032247591e-014'],
          '1.42857142857143'],
        ['799.46',
          [0,1,0,'-0.274679944693969','-0.309088056878477',0,0,0,0,0,'0.478359982916086',0,'6.7897560264312e-009'],
          '1.25'],
        ['818.96',
          [0,1,0,'-0.319516715643964','-0.279226699754935',0,0,0,0,0,'0.445493119928704',0,'3.19236171860369e-015'],
          '0.909090909090909'],
        ['783.990000000001',
          [0,1,0,'-0.431628055097985','-0.461749425530914',0,0,0,0,0,'0.47811882697231',0,'1.1878256704275e-008'],
          '0.5'],
        ['803.490000000001',
          [0,1,0,'-0.480386389357497','-0.443283780133323',0,0,0,0,0,'0.487064200138301',0,'6.84079758994196e-009'],
          '0.5'],
        ['791.290000000001',
          [0,1,0,'-0.887835958077148','-0.437240517196072',0,0,0,0,0,'0.47829062284392',0,'9.38944551818264e-009'],
          '0.5'],
        ['785.320000000001',
          [0,1,0,'-1.66657149337387','-0.506354543539023',0,0,0,0,0,'0.4626522548',0,'6.73053368305753e-009'],
          '0.4'],
        ['856.34',
          [0,0,1,'-0.0479751103654345',0,0,0,0,0,0,0,'0.4853633942',0],
          '-1'],##########################
        ['881.013',
          [0,0,1,'-0.79782237464122',0,0,0,'-0.1930515976',0,0,0,'0.4516982286',0],
          '3.33333333333333'],
        ['866.843',
          [0,0,1,'-0.319727898877664','-0.198938099451931',0,0,'-0.212908396750692',0,0,0,'0.496626133278315','6.75204076159447e-009'],
          '1.42857142857143'],
        ['848.472999999999',
          [0,0,1,'-0.581850455373487','-0.350642242052491',0,0,'-0.218496476154613',0,0,0,'0.496465397407948','1.19803049828096e-008'],
          '1'],
        ['858.672999999999',
          [0,0,1,'-0.709456421859156','-0.357527178152983',0,0,'-0.231135200648872',0,0,0,'0.497178585493374','9.45829474867007e-009'],
          '0.714285714285714'],
        ['835.103',
          [0,0,1,'-0.867395752212656','-0.512727944626281',0,0,'-0.212605862478697',0,0,0,'0.496490394800761','1.78451994992171e-008'],
          '0.769230769230769'],
        ['847.903',
          [0,0,1,'-1.39427324871796','-0.426131838425492',0,0,'-0.2487524048',0,0,0,'0.4615746844','6.79528932290423e-009'],
          '1.25'],
        ['803.663',
          [0,0,1,'-0.75274600224851','-0.814853231598093',0,0,'-0.209394210969967',0,0,0,'0.496467052883573','2.91813260150224e-008'],
          '0.833333333333333'],
        ['786.693',
          [0,0,1,'-0.859846519346464','-0.958825930870333',0,0,'-0.213575739433027',0,0,0,'0.49646186824546','3.49099546890029e-008'],
          '0.909090909090909'],
        ['754.753000000002',
          [0,0,1,'-0.80682766866236','-1.26383490804369',0,0,'-0.213814363604037',0,0,0,'0.496469910237218','4.62979411908046e-008'],
          '0.769230769230769'],
        ['1714.606',
          [0,0,2,'-0.158832066674353',0,0,0,0,'-0.2446178668',0,0,'0.976757906',0],
          '1.25'],
        ['1719.336',
          [0,0,2,'-0.881222622985059',0,0,0,'-0.299485468999269',0,0,0,'0.994918112063065',0],
          '0.666666666666667'],
        ['1738.666',
          [0,0,2,'-0.414955387374414','-0.0457899548683601',0,0,'-0.37215732261951',0,0,0,'0.993168987106117','3.24343831500825e-009'],
          '1.66666666666667'],
        ['1725.926',
          [0,0,2,'-0.990557053237703','-0.0856030681055609',0,0,'-0.422706282461159',0,0,0,'0.992277143298838','1.83935977066797e-008'],
          '0.769230769230769'],
        ['1701.486',
          [0,0,2,'-1.90404469843335','-0.171278765058646',0,0,'-0.43690132111708',0,0,0,'0.99457712519172','8.59096764533821e-008'],
          '0.555555555555556'],
        ['3371.782',
          [0,0,4,'-0.519604798239896',0,0,0,'-0.404192765945356',0,0,0,'1.96565742940298',0],
          '-1'],#############################
        ['1491.083',
          [1,0,1,'-0.404600646308825',0,0,'-0.190842777625125',0,0,'0.1864497944',0,'0.491792951776296','3.37839342914023e-009'],
          '0.588235294117647'],
        ['1500.913',
          [1,0,1,'-0.807913869819405',0,'-0.117798234153802','-0.185517120504106',0,0,'0.1906710606',0,'0.491168381017079','7.88343127636016e-009'],
          '1'],
        ['1494.213',
          [1,0,1,'-0.72337491310165',0,'-0.166250166239003','-0.185483913613068',0,0,'0.1879885601',0,'0.491557686340408','5.29452663070532e-009'],
          '1'],
        ['1477.313',
          [1,0,1,'-0.552200396477402',0,'-0.152205986445429',0,'-0.204151584523951',0,'0.23550235218997',0,'0.496928214910314','8.01780204868646e-009'],
          '0.833333333333333'],
        ['1483.643',
          [1,0,1,'-0.644574483609935','-0.230571140198345','-0.0766939923148542','-0.184689212123694',0,0,'0.188375586157146',0,'0.491125588291321','1.42975179413854e-008'],
          '0.833333333333333'],
        ['1478.843',
          [1,0,1,'-0.586066976919576','-0.228847514267813','-0.123740326369326','-0.183253673255797',0,0,'0.186199338377908',0,'0.491573951797302','1.22953632634261e-008'],
          '0.909090909090909'],
        ['1473.043',
          [1,0,1,'-0.844965116980691',0,'-0.302914656172933',0,'-0.204625313264783',0,'0.229248056451205',0,'0.496857728304016','1.16426650463531e-008'],
          '0.769230769230769'],
        ['2361.306',
          [1,0,2,'-0.513118329697546',0,0,'-0.323903973971254',0,0,'0.1616504893',0,'0.981708164361536','2.13228643542035e-011'],
          '0.555555555555556'],
        ['3210.829',
          [1,0,3,'-0.60332742588856',0,0,'-0.333764411452269',0,0,'0.1533022063',0,'1.47404676870092',0],
          '0.178571428571429'],
        ['4056.152',
          [1,0,4,'-0.640688970313713',0,0,'-0.319393827873941',0,0,'0.1481229425',0,'1.96399605659042',0],
          '0.163934426229508']];
