Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.E1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K2 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.294(D) HA :: 4.570(D) HB2 :: 1.742(D) HB3 :: 1.811(D) HG2 :: 1.366(D) HG3 :: 1.372(D) HD2 :: 1.603(D) HE2 :: 2.904(D) HE3 :: 2.835 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.P3 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.360(D) HB2 :: 2.236(D) HB3 :: 2.249 HG2 :: 1.962(D) HG3 :: 2.031 HD2 :: 3.923(D) HD3 :: 3.606 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G4 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.471(D) HA2 :: 3.805(D) HA3 :: 3.892(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.E5 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.510(D) HA :: 4.172(D) HB2 :: 1.942(D) HB3 :: 1.851(D) HG2 :: 2.161(D) HG3 :: 2.285 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.A6 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.253(D) HA :: 4.243(D) HB1 :: 1.270(D) HB2 :: 1.270(D) HB3 :: 1.270(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.V7 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 7.995(D) HA :: 3.975(D) HB :: 1.940(D) HG11 :: 0.833(D) HG12 :: 0.833(D) HG13 :: 0.833(D) HG21 :: 0.893 HG22 :: 0.899 HG23 :: 0.899 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.A8 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.260(D) HA :: 4.217(D) HB1 :: 1.263(D) HB2 :: 1.263(D) HB3 :: 1.263(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.A9 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.159(D) HA :: 4.231(D) HB1 :: 1.272(D) HB2 :: 1.272(D) HB3 :: 1.272(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.SEP10 Overall Status: Residue type SEP not supported. 1.P11 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.320(D) HB2 :: 2.228(D) HB3 :: 1.982(D) HG2 :: 1.928(D) HG3 :: 1.845(D) HD2 :: 3.778(D) HD3 :: 3.565(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S12 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.290(D) HA :: 4.656(D) HB2 :: 3.792(D) HB3 :: 3.875(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.K13 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.063(D) HA :: 4.260(D) HB2 :: 1.809(D) HB3 :: 1.828(D) HG2 :: 1.332(D) HG3 :: 1.383(D) HD2 :: 1.569(D) HD3 :: 1.657(D) HE2 :: 2.900(D) HE3 :: 3.055(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.A14 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 7.987(D) HA :: 4.197(D) HB1 :: 1.310(D) HB2 :: 1.310(D) HB3 :: 1.277(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.N15 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.289(D) HA :: 4.657(D) HB2 :: 2.700(D) HB3 :: 2.757(D) HD21 :: 7.012(D) HD22 :: 7.514(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) 1.G16 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.289(D) HA2 :: 3.763(D) HA3 :: 3.822(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Q17 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.125(D) HA :: 4.241(D) HB2 :: 2.033(D) HB3 :: 1.876(D) HG2 :: 2.242(D) HG3 :: 2.287 HE21 :: 6.914 HE22 :: 7.677 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) 1.E18 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 7.968(D) HA :: 4.190(D) HB2 :: 1.944(D) HB3 :: 1.837(D) HG2 :: 2.136(D) HG3 :: 2.214 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.N19 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.466(D) HA :: 4.600(D) HB2 :: 2.687(D) HB3 :: 2.776(D) HD21 :: 7.200 HD22 :: 7.466 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) 1.G20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.491 HA2 :: 4.060 HA3 :: 4.261 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) ########################################################################### Overall Results: #Consistent: 2 #Clerical: 17 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 0 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 19 Shift Relative Order (SRO) Results: #Consistent: 19 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 17 #Duplicate: 90 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K2 H = 8.294(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.6239e-01 1.K2 HA = 4.570(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.9535e-01 1.K2 HB2 = 1.742(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.7919e-01 1.K2 HB3 = 1.811(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.9258e-01 1.K2 HG2 = 1.366(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.8773e-01 1.K2 HG3 = 1.372(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.3737e-01 1.K2 HD2 = 1.603(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.7462e-01 1.K2 HE2 = 2.904(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.3289e-01 1.P3 HA = 4.360(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.0352e-01 1.P3 HB2 = 2.236(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.5580e-01 1.P3 HG2 = 1.962(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.1778e-01 1.P3 HD2 = 3.923(D), Expected = 3.65, Std = 0.3500, ChiSquare = 4.3539e-01 1.G4 H = 8.471(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2827e-01 1.G4 HA2 = 3.805(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.5564e-01 1.G4 HA3 = 3.892(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.8275e-01 1.E5 H = 8.510(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.6030e-01 1.E5 HA = 4.172(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.4912e-01 1.E5 HB2 = 1.942(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.1032e-01 1.E5 HB3 = 1.851(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.4561e-01 1.E5 HG2 = 2.161(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.0373e-01 1.A6 H = 8.253(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2961e-01 1.A6 HA = 4.243(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.6918e-01 1.A6 HB1 = 1.270(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.5832e-01 1.A6 HB2 = 1.270(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.5832e-01 1.A6 HB3 = 1.270(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.5832e-01 1.V7 H = 7.995(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.5972e-01 1.V7 HA = 3.975(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.1087e-01 1.V7 HB = 1.940(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.0052e-01 1.V7 HG11 = 0.833(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9079e-01 1.V7 HG12 = 0.833(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9079e-01 1.V7 HG13 = 0.833(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9079e-01 1.A8 H = 8.260(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2034e-01 1.A8 HA = 4.217(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.2215e-01 1.A8 HB1 = 1.263(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.3792e-01 1.A8 HB2 = 1.263(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.3792e-01 1.A8 HB3 = 1.263(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.3792e-01 1.A9 H = 8.159(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4552e-01 1.A9 HA = 4.231(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4745e-01 1.A9 HB1 = 1.272(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.6418e-01 1.A9 HB2 = 1.272(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.6418e-01 1.A9 HB3 = 1.272(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.6418e-01 1.P11 HA = 4.320(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.0845e-01 1.P11 HB2 = 2.228(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.7240e-01 1.P11 HB3 = 1.982(D), Expected = 2.00, Std = 0.3600, ChiSquare = 9.6012e-01 1.P11 HG2 = 1.928(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.9485e-01 1.P11 HG3 = 1.845(D), Expected = 1.90, Std = 0.3300, ChiSquare = 8.6763e-01 1.P11 HD2 = 3.778(D), Expected = 3.65, Std = 0.3500, ChiSquare = 7.1458e-01 1.P11 HD3 = 3.565(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.0814e-01 1.S12 H = 8.290(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.8648e-01 1.S12 HA = 4.656(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.5994e-01 1.S12 HB2 = 3.792(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.2484e-01 1.S12 HB3 = 3.875(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.2623e-01 1.K13 H = 8.063(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.3237e-01 1.K13 HA = 4.260(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.8187e-01 1.K13 HB2 = 1.809(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.0765e-01 1.K13 HB3 = 1.828(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.4448e-01 1.K13 HG2 = 1.332(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.8380e-01 1.K13 HG3 = 1.383(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.0618e-01 1.K13 HD2 = 1.569(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.5216e-01 1.K13 HD3 = 1.657(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.9556e-01 1.K13 HE2 = 2.900(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.1617e-01 1.K13 HE3 = 3.055(D), Expected = 2.91, Std = 0.2000, ChiSquare = 4.6845e-01 1.A14 H = 7.987(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.2259e-01 1.A14 HA = 4.197(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.8615e-01 1.A14 HB1 = 1.310(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.7773e-01 1.A14 HB2 = 1.310(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.7773e-01 1.A14 HB3 = 1.277(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.7889e-01 1.N15 H = 8.289(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.3548e-01 1.N15 HA = 4.657(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.7119e-01 1.N15 HB2 = 2.700(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.2271e-01 1.N15 HB3 = 2.757(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.8308e-01 1.N15 HD21 = 7.012(D), Expected = 7.35, Std = 0.4800, ChiSquare = 4.8133e-01 1.N15 HD22 = 7.514(D), Expected = 7.14, Std = 0.4900, ChiSquare = 4.4531e-01 1.G16 H = 8.289(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4971e-01 1.G16 HA2 = 3.763(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.7585e-01 1.G16 HA3 = 3.822(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.3303e-01 1.Q17 H = 8.125(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.7208e-01 1.Q17 HA = 4.241(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4745e-01 1.Q17 HB2 = 2.033(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.4579e-01 1.Q17 HB3 = 1.876(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.0705e-01 1.Q17 HG2 = 2.242(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.7267e-01 1.E18 H = 7.968(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.3951e-01 1.E18 HA = 4.190(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.8365e-01 1.E18 HB2 = 1.944(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.1742e-01 1.E18 HB3 = 1.837(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.0591e-01 1.E18 HG2 = 2.136(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.2341e-01 1.N19 H = 8.466(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.4148e-01 1.N19 HA = 4.600(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.4583e-01 1.N19 HB2 = 2.687(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.9153e-01 1.N19 HB3 = 2.776(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.3720e-01