Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.44 R 0.26 Q 0.15 E 0.11 V 0.01 C Shift Assignments>> C :: 179.2457498 CA :: 54.70858044 CB :: 32.24848246 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.7648625 CA :: 57.72008535 CB :: 63.62784862 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.698754941 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) N Shift Assignments>> N :: 118.8255515 Ave N Shift Values>> N :: 116.28(3.52) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.52 N 0.28 F 0.18 C Shift Assignments>> C :: 175.7856955 CA :: 54.30715377 CB :: 40.51421732 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.417605235 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.0782359 Ave N Shift Values>> N :: 120.65(3.86) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.19 F 0.08 M 0.01 C Shift Assignments>> C :: 174.7158609 CA :: 52.91871704 CB :: 38.65258578 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.162481797 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) N Shift Assignments>> N :: 117.6217422 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.53 N 0.27 F 0.17 C Shift Assignments>> C :: 175.6362836 CA :: 54.23915872 CB :: 40.5687457 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.058093125 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.2304042 Ave N Shift Values>> N :: 120.65(3.86) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.51 N 0.31 F 0.15 C Shift Assignments>> C :: 175.7669183 CA :: 53.98889201 CB :: 40.47922328 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.083920955 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.0466217 Ave N Shift Values>> N :: 120.65(3.86) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 F 0.31 E 0.03 C Shift Assignments>> C :: 175.9677284 CA :: 60.61955841 CB :: 38.35835201 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.804398079 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.4503771 Ave N Shift Values>> N :: 121.46(4.28) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 R 0.27 E 0.26 M 0.11 I 0.01 C Shift Assignments>> C :: 175.9830324 CA :: 55.9173333 CB :: 29.73697643 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.315679693 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) N Shift Assignments>> N :: 125.4642287 Ave N Shift Values>> N :: 120.67(3.48) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 P 0.28 R 0.04 M 0.02 E 0.02 Q 0.02 I 0.01 HN Overlap>> 1.Q15 1.Q15 C Shift Assignments>> C :: 175.8712674 CA :: 61.64358636 CB :: 32.52932946 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.094670634 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) N Shift Assignments>> N :: 122.2544585 Ave N Shift Values>> N :: 121.14(4.54) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 R 0.27 E 0.27 M 0.12 I 0.01 C Shift Assignments>> C :: 176.1660666 CA :: 55.97948935 CB :: 29.79389715 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.417390234 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) N Shift Assignments>> N :: 125.2815797 Ave N Shift Values>> N :: 120.67(3.48) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.0940951 CA :: 57.66564129 CB :: 63.59954502 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.293709809 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) N Shift Assignments>> N :: 117.334443 Ave N Shift Values>> N :: 116.28(3.52) 1.D12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.53 N 0.3 F 0.14 C Shift Assignments>> C :: 176.1289572(D) CA :: 53.8836433(D) CB :: 40.57395152(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.334800016 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.8447721 Ave N Shift Values>> N :: 120.65(3.86) 1.E13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.29 R 0.28 E 0.27 M 0.12 I 0.01 C Shift Assignments>> C :: 176.313252(D) CA :: 56.14667378(D) CB :: 29.86334718(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.149227764(D) 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) N Shift Assignments>> N :: 120.6232072(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 R 0.27 E 0.27 M 0.11 I 0.01 C Shift Assignments>> C :: 176.1933634(D) CA :: 56.06094154(D) CB :: 29.77790557(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.237166432 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) N Shift Assignments>> N :: 121.61896 Ave N Shift Values>> N :: 120.67(3.48) 1.Q15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.41 R 0.33 E 0.13 M 0.07 P 0.01 I 0.01 HN Overlap>> 1.V9 1.V9 C Shift Assignments>> C :: 173.6315182(D) CA :: 53.17619453(D) CB :: 28.26207788(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.183529344(D) 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) N Shift Assignments>> N :: 122.2255407(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.48 V 0.44 I 0.03 R 0.01 E 0.01 C Shift Assignments>> C :: 176.5475014(D) CA :: 62.69730953(D) CB :: 31.65471735(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.R17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.3 Q 0.25 E 0.24 M 0.18 C Shift Assignments>> C :: 175.8463734(D) CA :: 55.53883667(D) CB :: 30.43558484(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2714727(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.2539632(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.54 D 0.16 I 0.15 N 0.09 E 0.02 M 0.01 C Shift Assignments>> C :: 175.2105582(D) CA :: 57.19923425(D) CB :: 39.14547446(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.118775972(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.0355867(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.36 R 0.27 E 0.23 M 0.11 I 0.01 C Shift Assignments>> C :: 175.0633136(D) CA :: 54.99617938(D) CB :: 29.36511705(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.137837739(D) 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) N Shift Assignments>> N :: 122.41717(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.0595029 CA :: 57.90468404 CB :: 63.56072249 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.171569099 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) N Shift Assignments>> N :: 118.0056541 Ave N Shift Values>> N :: 116.28(3.52) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.11 C Shift Assignments>> C :: 175.4364928 CA :: 53.37759548 CB :: 19.68670595 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.919507159 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.411098 Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 13 #Clerical: 8 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 21 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 21 #Suspicious: 0 C Shift Results: #Consistent: 39 #Duplicate: 24 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 14 #Duplicate: 5 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 14 #Duplicate: 5 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D12 C = 176.1289572(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.7691e-01 1.D12 CA = 53.8836433(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.9120e-01 1.D12 CB = 40.57395152(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.5016e-01 1.E13 C = 176.313252(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.7525e-01 1.E13 CA = 56.14667378(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.7452e-01 1.E13 CB = 29.86334718(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.3205e-01 1.E13 H = 8.149227764(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.5930e-01 1.E13 N = 120.6232072(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.8927e-01 1.E14 C = 176.1933634(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.2860e-01 1.E14 CA = 56.06094154(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.4689e-01 1.E14 CB = 29.77790557(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.9266e-01 1.Q15 C = 173.6315182(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.6957e-01 1.Q15 CA = 53.17619453(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.1276e-01 1.Q15 CB = 28.26207788(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.1016e-01 1.Q15 H = 8.183529344(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.5071e-01 1.Q15 N = 122.2255407(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.1649e-01 1.P16 C = 176.5475014(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.9332e-01 1.P16 CA = 62.69730953(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.7723e-01 1.P16 CB = 31.65471735(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.6856e-01 1.R17 C = 175.8463734(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.8128e-01 1.R17 CA = 55.53883667(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.9405e-01 1.R17 CB = 30.43558484(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.8511e-01 1.R17 H = 8.2714727(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.5885e-01 1.R17 N = 121.2539632(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.0182e-01 1.F18 C = 175.2105582(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.1618e-01 1.F18 CA = 57.19923425(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.3182e-01 1.F18 CB = 39.14547446(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.8615e-01 1.F18 H = 8.118775972(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.3760e-01 1.F18 N = 121.0355867(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.8859e-01 1.Q19 C = 175.0633136(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.2261e-01 1.Q19 CA = 54.99617938(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.6208e-01 1.Q19 CB = 29.36511705(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.2335e-01 1.Q19 H = 8.137837739(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.8925e-01 1.Q19 N = 122.41717(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.8268e-01