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1 NAME
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2 AnalyzeTextFilesData.pl - Analyze numerical coulmn data in TextFile(s)
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3
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4 SYNOPSIS
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5 AnalyzeTextFilesData.pl TextFile(s)...
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6
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7 AnalyzeTextFilesData.pl [-c, --colmode colnum | collabel] [--columns
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8 "colnum,[colnum,...]" | "collabel,[collabel,...]" | All] [--columnpairs
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9 "colnum,colnum,[colnum,colnum]..." |
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10 "collabel,collabel,[collabel,collabel]..." | AllPairs] [-d, --detail
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11 infolevel] [-f, --fast] [--frequencybins number |
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12 "number,number,[number,...]"] [-h, --help] [--indelim comma | semicolon]
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13 [--klargest number] [--ksmallest number] [-m, --mode
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14 DescriptiveStatisticsBasic | DescriptiveStatisticsAll | All |
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15 "function1, [function2,...]"] [-o, --overwrite] [--outdelim comma | tab
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16 | semicolon] [-p, --precision number] [-q, --quote yes | no] [-r, --root
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17 rootname] [--trimfraction number] [-w, --workingdir dirname]
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18 TextFiles(s)...
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19
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20 DESCRIPTION
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21 Anaylze numerical column data in *TextFile(s)* using a combination of
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22 various statistical functions; Non-numerical values are simply ignored.
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23 For *Correlation, RSquare, and Covariance* analysis, the count of valid
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24 values in specifed column pair must be same; otherwise, column pair is
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25 ignored. The file names are separated by space. The valid file
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26 extensions are *.csv* and *.tsv* for comma/semicolon and tab delimited
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27 text files respectively. All other file names are ignored. All the text
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28 files in a current directory can be specified by **.csv*, **.tsv*, or
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29 the current directory name. The --indelim option determines the format
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30 of *TextFile(s)*. Any file which doesn't correspond to the format
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31 indicated by --indelim option is ignored.
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32
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33 OPTIONS
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34 -c, --colmode *colnum | collabel*
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35 Specify how columns are identified in TextFile(s): using column
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36 number or column label. Possible values: *colnum or collabel*.
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37 Default value: *colnum*.
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38
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39 --columns *"colnum,[colnum,...]" | "collabel,[collabel]..." | All*
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40 This value is mode specific. It's a list of comma delimited columns
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41 to use for data analysis. Default value: *First column*.
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42
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43 This value is ignored during *Correlation/Pearson Correlation* and
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44 *Covariance* data analysis; -coulmnparis option is used instead.
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45
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46 For *colnum* value of -c, --colmode option, input values format is:
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47 *colnum,colnum,...*. Example:
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48
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49 1,3,5
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50
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51 For *collabel* value of -c, --colmode option, input values format
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52 is: *collabel,collabel,..*. Example:
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53
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54 ALogP,MolWeight,EC50
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55
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56 --columnpairs *"colnum,colnum,[colnum,colnum,...]" |
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57 "collabel,collabel,[collabel,collabel,...]" | AllPairs*
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58 This value is mode specific and is only used for *Correlation,
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59 PearsonCorrelation, or Covariance* value of -m, --mode option. It is
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60 a comma delimited list of column pairs to use for data analysis
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61 during *Correlation* and *Covariance* calculations. Default value:
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62 *First column, Second column*.
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63
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64 For *colnum* value of -c, --colmode option, input values format is:
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65 *colnum,colnum,[colnum,colnum]...*. Example:
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66
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67 1,3,5,6,1,6
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68
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69 For *collabel* value of -c, --colmode option, input values format
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70 is: *collabel,collabel,[collabel,collabel]..*. Example:
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71
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72 MolWeight,EC50,NumN+O,PSA
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73
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74 For *AllPairs* value of --columnparis option, all column pairs are
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75 used for *Correlation* and *Covariance* calculations.
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76
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77 -d, --detail *infolevel*
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78 Level of information to print about column values being ignored.
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79 Default: *1*. Possible values: 1, 2, 3, or 4.
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80
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81 -f, --fast
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82 In this mode, all the columns specified for analysis are assumed to
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83 contain numerical data and no checking is performed before analysis.
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84 By default, only numerical data is used for analysis; other types of
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85 column data is ignored.
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86
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87 --frequencybins *number | "number,number,[number,...]"*
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88 Specify number of bins or bin range to use for frequency analysis.
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89 Default value: *10*
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90
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91 Number of bins value along with the smallest and largest value for a
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92 column is used to group the column values into different groups.
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93
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94 The bin range list is used to group values for a column into
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95 different groups; It must contain values in ascending order.
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96 Examples:
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97
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98 10,20,30
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99 0.1,0.2,0.3,0.4,0.5
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100
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101 The frequency value calculated for a specific bin corresponds to all
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102 the column values which are greater than the previous bin value and
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103 less than or equal to the current bin value.
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104
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105 -h, --help
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106 Print this help message.
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107
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108 --indelim *comma | semicolon*
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109 Input delimiter for CSV *TextFile(s)*. Possible values: *comma or
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110 semicolon*. Default value: *comma*. For TSV files, this option is
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111 ignored and *tab* is used as a delimiter.
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112
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113 --klargest *number*
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114 Kth largest value to find by *KLargest* function. Default value: *2*
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115 Valid values: positive integers.
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116
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117 --ksmallest *number*
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118 Kth smallest value to find by *KSmallest* function. Default value:
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119 *2*. Valid values: positive integers.
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120
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121 -m, --mode *DescriptiveStatisticsBasic | DescriptiveStatisticsAll | All
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122 | "function1, [function2,...]"*
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123 Specify how to analyze data in TextFile(s): calculate basic or all
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124 descriptive statistics; or use a comma delimited list of supported
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125 statistical functions. Possible values: *DescriptiveStatisticsBasic
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126 | DescriptiveStatisticsAll | "function1,[function2]..."*. Default
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127 value: *DescriptiveStatisticsBasic*
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128
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129 *DescriptiveStatisticsBasic* includes these functions: *Count,
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130 Maximum, Minimum, Mean, Median, Sum, StandardDeviation,
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131 StandardError, Variance*.
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132
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133 *DescriptiveStatisticsAll*, in addition to
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134 *DescriptiveStatisticsBasic* functions, includes: *GeometricMean,
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135 Frequency, HarmonicMean, KLargest, KSmallest, Kurtosis, Mode,
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136 RSquare, Skewness, TrimMean*.
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137
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138 *All* uses complete list of supported functions: *Average,
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139 AverageDeviation, Correlation, Count, Covariance, GeometricMean,
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140 Frequency, HarmonicMean, KLargest, KSmallest, Kurtosis, Maximum,
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141 Minimum, Mean, Median, Mode, RSquare, Skewness, Sum, SumOfSquares,
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142 StandardDeviation, StandardDeviationN, StandardError,
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143 StandardScores, StandardScoresN, TrimMean, Variance, VarianceN*. The
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144 function names ending with N calculate corresponding values assuming
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145 an entire population instead of a population sample.
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146
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147 Here are the formulas for these functions:
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148
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149 Average: See Mean
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150
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151 AverageDeviation: SUM( ABS(x[i] - Xmean) ) / n
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152
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153 Correlation: See Pearson Correlation
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154
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155 Covariance: SUM( (x[i] - Xmean)(y[i] - Ymean) ) / n
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156
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157 GeometricMean: NthROOT( PRODUCT(x[i]) )
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158
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159 HarmonicMean: 1 / ( SUM(1/x[i]) / n )
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160
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161 Mean: SUM( x[i] ) / n
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162
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163 Median: Xsorted[(n - 1)/2 + 1] for even values of n; (Xsorted[n/2] +
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164 Xsorted[n/2 + 1])/2 for odd values of n.
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165
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166 Kurtosis: [ {n(n + 1)/(n - 1)(n - 2)(n - 3)} SUM{ ((x[i] -
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167 Xmean)/STDDEV)^4 } ] - {3((n - 1)^2)}/{(n - 2)(n-3)}
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168
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169 PearsonCorrelation: SUM( (x[i] - Xmean)(y[i] - Ymean) ) / SQRT( SUM(
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170 (x[i] - Xmean)^2 ) (SUM( (y[i] - Ymean)^2 )) )
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171
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172 RSquare: PearsonCorrelation^2
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173
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174 Skewness: {n/(n - 1)(n - 2)} SUM{ ((x[i] - Xmean)/STDDEV)^3 }
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175
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176 StandardDeviation: SQRT ( SUM( (x[i] - Mean)^2 ) / (n - 1) )
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177
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178 StandardDeviationN: SQRT ( SUM( (x[i] - Mean)^2 ) / n )
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179
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180 StandardError: StandardDeviation / SQRT( n )
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181
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182 StandardScore: (x[i] - Mean) / (n - 1)
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183
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184 StandardScoreN: (x[i] - Mean) / n
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185
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186 Variance: SUM( (x[i] - Xmean)^2 / (n - 1) )
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187
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188 VarianceN: SUM( (x[i] - Xmean)^2 / n )
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189
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190 -o, --overwrite
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191 Overwrite existing files.
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192
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193 --outdelim *comma | tab | semicolon*
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194 Output text file delimiter. Possible values: *comma, tab, or
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195 semicolon* Default value: *comma*.
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196
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197 -p, --precision *number*
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198 Precision of calculated values in the output file. Default: up to
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199 *2* decimal places. Valid values: positive integers.
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200
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201 -q, --quote *yes | no*
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202 Put quotes around column values in output text file. Possible
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203 values: *yes or no*. Default value: *yes*.
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204
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205 -r, --root *rootname*
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206 New text file name is generated using the root: <Root>.<Ext>.
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207 Default new file name: <InitialTextFileName><Mode>.<Ext>. Based on
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208 the specified analysis, <Mode> corresponds to one of these values:
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209 DescriptiveStatisticsBasic, DescriptiveStatisticsAll, AllStatistics,
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210 SpecifiedStatistics, Covariance, Correlation, Frequency, or
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211 StandardScores. The csv, and tsv <Ext> values are used for
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212 comma/semicolon, and tab delimited text files respectively. This
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213 option is ignored for multiple input files.
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214
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215 --trimfraction *number*
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216 Fraction of data to exclude from the top and bottom of the data set
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217 during *TrimMean* calculation. Default value: *0.1*. Valid values: >
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218 0 and < 1.
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219
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220 -w --workingdir *text*
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221 Location of working directory. Default: current directory.
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222
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223 EXAMPLES
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224 To calculate basic statistics for data in first column and generate a
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225 NewSample1DescriptiveStatisticsBasic.csv file, type:
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226
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227 % AnalyzeTextFilesData.pl -o -r NewSample1 Sample1.csv
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228
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229 To calculate basic statistics for data in third column and generate a
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230 NewSample1DescriptiveStatisticsBasic.csv file, type:
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231
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232 % AnalyzeTextFilesData.pl --columns 3 -o -r NewSample1 Sample1.csv
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233
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234 To calculate basic statistics for data in MolWeight column and generate
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235 a NewSample1DescriptiveStatisticsBasic.csv file, type:
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236
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237 % AnalyzeTextFilesData.pl -colmode collabel --columns MolWeight -o
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238 -r NewSample1 Sample1.csv
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239
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240 To calculate all available statistics for data in third column and all
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241 column pairs, and generate NewSample1DescriptiveStatisticsAll.csv,
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242 NewSample1CorrelationMatrix.csv, NewSample1CorrelationMatrix.csv, and
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243 NewSample1MolWeightFrequencyAnalysis.csv files, type:
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244
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245 % AnalyzeTextFilesData.pl -m DescriptiveStatisticsAll --columns 3 -o
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246 --columnpairs AllPairs -r NewSample1 Sample1.csv
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247
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248 To compute frequency distribution of data in third column into five bins
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249 and generate NewSample1MolWeightFrequencyAnalysis.csv, type:
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250
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251 % AnalyzeTextFilesData.pl -m Frequency --frequencybins 5 --columns 3
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252 -o -r NewSample1 Sample1.csv
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253
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254 To compute frequency distribution of data in third column into specified
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255 bin range values, and generate NewSample1MolWeightFrequencyAnalysis.csv,
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256 type:
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257
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258 % AnalyzeTextFilesData.pl -m Frequency --frequencybins "100,200,400"
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259 --columns 3 -o -r NewSample1 Sample1.csv
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260
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261 To calculate all available statistics for data in all columns and column
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262 pairs, type:
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263
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264 % AnalyzeTextFilesData.pl -m All --columns All --columnpairs
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265 AllPairs -o -r NewSample1 Sample1.csv
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266
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267 AUTHOR
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268 Manish Sud <msud@san.rr.com>
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269
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270 SEE ALSO
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271 JoinTextFiles.pl, MergeTextFilesWithSD.pl, ModifyTextFilesFormat.pl,
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272 SplitTextFiles.pl, TextFilesToHTML.pl
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273
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274 COPYRIGHT
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275 Copyright (C) 2015 Manish Sud. All rights reserved.
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276
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277 This file is part of MayaChemTools.
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278
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279 MayaChemTools is free software; you can redistribute it and/or modify it
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280 under the terms of the GNU Lesser General Public License as published by
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281 the Free Software Foundation; either version 3 of the License, or (at
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282 your option) any later version.
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283
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