File name: Pandora187s1_PittsburghPA_20211215_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T081007.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20211215_L1_smca1c2d20210902p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20211215 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 194 335 Nominal wavelengths inside fitting window [nm]: 305.1270 305.2683 305.4097 305.5510 305.6924 305.8337 305.9750 306.1163 306.2576 306.3989 306.5402 306.6814 306.8227 306.9639 307.1051 307.2464 307.3876 307.5288 307.6699 307.8111 307.9523 308.0934 308.2346 308.3757 308.5168 308.6579 308.7990 308.9401 309.0812 309.2222 309.3633 309.5043 309.6454 309.7864 309.9274 310.0684 310.2094 310.3504 310.4914 310.6323 310.7733 310.9142 311.0551 311.1960 311.3369 311.4778 311.6187 311.7596 311.9004 312.0413 312.1821 312.3230 312.4638 312.6046 312.7454 312.8862 313.0269 313.1677 313.3084 313.4492 313.5899 313.7306 313.8713 314.0120 314.1527 314.2934 314.4341 314.5747 314.7154 314.8560 314.9966 315.1372 315.2778 315.4184 315.5590 315.6996 315.8401 315.9807 316.1212 316.2617 316.4022 316.5427 316.6832 316.8237 316.9642 317.1046 317.2451 317.3855 317.5259 317.6663 317.8067 317.9471 318.0875 318.2279 318.3682 318.5086 318.6489 318.7892 318.9295 319.0698 319.2101 319.3504 319.4907 319.6309 319.7712 319.9114 320.0516 320.1919 320.3321 320.4723 320.6124 320.7526 320.8928 321.0329 321.1730 321.3132 321.4533 321.5934 321.7335 321.8735 322.0136 322.1537 322.2937 322.4337 322.5738 322.7138 322.8538 322.9938 323.1337 323.2737 323.4137 323.5536 323.6935 323.8335 323.9734 324.1133 324.2532 324.3930 324.5329 324.6728 324.8126 324.9524 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20211215T132159.2Z 8019.556935 208 1 44.77 2 83.64 128.17 123.18 339.71 0.00 1 0.00 1 0 25 6.642e-01 3.279e-02 4.550e-01 2.513e-02 8.289932e-01 1.549780e-02 9.328249e-03 -6.000000e+00 3.973972e-01 222.77 -2.00 3.49 -2.00 322.18 0.00e+00 -2.746348e-03 9.270967e-03 4.546770e-03 -6.000000e+00 2.616857e-02 276.04 -2.00 20.00 -2.00 321.76 0.00e+00 8.166 0.010 302.00 328.00 3 1.1598e+00 6.0458e-02 9.2759e-02 -6.0000e+00 9.9797e-01 6.3533e-01 8.8450e-02 5.1181e-02 -6.0000e+00 1.1069e+00 -9.1974e-01 9.2342e-02 2.8347e-02 -6.0000e+00 6.4286e-01 3.8964e-01 4.1962e-02 9.6540e-03 -6.0000e+00 2.8139e-01 3.0502e-05 -2.0978e-03 8.0798e-04 1.8630e-04 -6.0000e+00 2.1404e-02 -8.7648e-03 -1.4939e-05 12 8 8 10 0 0 53.56 18.55 0.95 -0.00876 -0.02453 19 6 1 5 0 2355.930 21.88 15.00 18.55 12.98 13.2 948.61 900000 900000 900000 900000 900000 -248149 900000 -198266 900000 900000 900000 900000 -158636 900000 -110559 900000 -129340 900000 -61133 900000 900000 900000 -91637 181382 26402 -30274 900000 900000 900000 29245 900000 -39130 900000 900000 900000 162620 900000 -14480 172698 900000 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2497 -1416 958 -7030 5444 -2898 681 357 1974 3006 1392 3835 2841 78 -2330 6421 -4531 1237 -4118 -20 -6098 1585 2945 3157 -6890 1478 -2609 -3562 -5896 -6826 -2431 1092 201 -905 5801 -3378 2632 -2032 -1107 0 -159 1771 1719 229 4515 -1838 2112 -1723 1362 5854 168 4733 -2129 4493 230 938 747 1145 -3261 656 -6386 664 -943 -182 1481 SS 20211215T134436.2Z 8019.572641 214 1 12.01 2 80.36 132.23 124.34 345.89 0.00 1 0.00 1 0 17 4.110e-01 1.780e-02 4.027e-01 2.002e-02 6.388516e-01 1.122048e-02 7.331958e-03 -6.000000e+00 2.379280e-01 222.77 -2.00 3.49 -2.00 321.26 0.00e+00 2.889426e-03 5.289544e-03 3.349760e-03 -6.000000e+00 1.240388e-02 276.04 -2.00 20.00 -2.00 320.78 0.00e+00 5.701 0.003 302.00 328.00 3 2.3645e+00 3.7234e-02 6.6952e-02 -6.0000e+00 5.9021e-01 8.2521e-02 5.1446e-02 4.2657e-02 -6.0000e+00 6.4678e-01 -1.1373e-01 5.4484e-02 1.8575e-02 -6.0000e+00 3.8227e-01 4.6583e-02 2.6098e-02 6.7227e-03 -6.0000e+00 1.6654e-01 1.0860e-04 -8.3815e-04 6.1521e-04 7.4818e-05 -6.0000e+00 1.2146e-02 -1.5986e-02 -4.3232e-05 12 9 9 12 1 1 68.59 18.55 0.49 -0.01599 -0.02228 4 6 1 5 0 2365.210 21.88 14.99 18.55 14.79 13.1 959.99 900000 900000 -127554 900000 -209205 -27432 900000 -4138 900000 -136252 900000 900000 900000 -60088 900000 -72911 900000 11470 900000 70161 900000 -60383 -80468 -13662 -13593 152030 13385 900000 -38015 900000 -42890 115878 33906 214799 -42815 12002 -21605 -10063 26424 25788 -28689 -19629 30067 -6392 50273 -4494 31552 -21931 3232 -16319 15319 -8077 6343 6844 27410 6515 -3900 14941 1960 18886 -7894 21847 11761 6333 -1698 5671 2005 4102 -2514 2395 1185 1636 4593 852 2817 -5956 2134 -6437 2661 -6691 -2426 -2680 -2739 -4431 265 -572 788 3699 1997 4448 501 2651 2409 -171 -2306 1329 -1722 1149 -1265 452 -873 807 768 -1076 -2182 -2828 -2260 -1281 2765 -874 1319 421 782 -2247 694 -1172 421 -1316 555 -1009 -106 2175 199 891 -2305 897 1339 1111 -57 1427 256 811 -567 806 123 132 -220 -493 -668 345 295 -1147 900000 900000 -2482 900000 -4071 -534 900000 -81 900000 -2652 900000 900000 900000 -1169 900000 -1419 900000 223 900000 1365 900000 -1488 -2610 -266 -265 2959 260 900000 -986 900000 -1614 2255 792 4180 -2111 358 -1037 -522 1166 1338 -2829 -1885 1833 -572 2609 -414 2088 -2589 314 -2117 1630 -1205 897 1039 3556 1082 -729 2268 331 2720 -1598 3713 2518 1561 -456 1383 515 1107 -828 848 454 630 1650 294 859 -1816 632 -2096 929 -3029 -1215 -1502 -1645 -2886 176 -406 573 2635 1412 2885 315 1555 1425 -114 -1807 1166 -1792 1207 -1395 467 -887 731 681 -1033 -2259 -3108 -2642 -1515 3507 -1280 2024 661 1190 -3340 954 -1633 601 -2021 877 -1622 -163 3162 286 1219 -3140 1143 1746 1619 -96 2582 471 1563 -1175 1759 287 315 -505 -1203 -1576 760 613 -2332 SS 20211215T145803.9Z 8019.623656 262 1 15.13 2 71.29 146.90 124.99 6.67 0.00 1 0.00 1 0 17 6.879e-02 8.777e-03 7.655e-02 8.096e-03 3.712804e-01 4.059817e-03 4.403896e-03 -6.000000e+00 3.898887e-02 222.77 -2.00 3.49 -2.00 318.97 0.00e+00 1.252776e-03 9.445387e-04 1.896043e-04 -6.000000e+00 1.708901e-03 276.03 -2.00 20.00 -2.00 318.39 0.00e+00 3.080 0.000 302.00 328.00 3 3.9606e+00 1.1058e-02 3.5079e-02 -6.0000e+00 9.5975e-02 2.6154e-02 1.2773e-02 1.8925e-02 -6.0000e+00 1.0467e-01 7.9533e-04 9.4818e-03 9.4650e-03 -6.0000e+00 6.2328e-02 -6.4776e-03 5.0281e-03 3.0161e-03 -6.0000e+00 2.6595e-02 3.2997e-04 -4.1171e-04 2.4029e-04 3.3460e-05 -6.0000e+00 1.9176e-03 -1.1921e-02 3.2165e-05 12 9 1 12 1 1 93.49 18.55 0.49 -0.01192 -0.01501 4 5 1 5 0 2989.820 21.88 15.00 18.55 16.60 13.3 972.41 -37792 20308 -747 36355 -34201 -10927 -5518 -3909 -3650 -24965 -6443 -2791 -6735 -12664 -13430 -6625 5316 3090 -335 338 8429 -15207 -3205 2402 -1831 -2419 1898 6468 -7015 7989 -3289 4786 2821 3028 -6965 -3375 156 -1266 502 2279 -3066 -3002 -346 1583 2247 -1181 1677 -2126 -459 101 2409 -397 495 -416 2978 257 2632 17 2335 -1270 1468 2636 2435 1104 436 815 -1757 694 -56 150 -124 1014 16 1062 -665 365 45 1222 119 -1437 -2191 -2693 -1745 -1614 -407 -669 657 281 999 1095 -7 -856 652 -766 -135 70 1150 150 -118 357 -1168 -561 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4.223159e-03 -6.000000e+00 2.117251e-02 222.77 -2.00 3.49 -2.00 318.73 0.00e+00 8.739592e-04 5.453415e-04 2.966082e-04 -6.000000e+00 9.283224e-04 276.03 -2.00 20.00 -2.00 318.14 0.00e+00 2.872 0.000 302.00 328.00 3 3.7454e+00 6.8823e-03 3.2867e-02 -6.0000e+00 5.2118e-02 2.3320e-02 7.8919e-03 1.7933e-02 -6.0000e+00 5.6848e-02 -8.8736e-04 5.5880e-03 8.9117e-03 -6.0000e+00 3.3852e-02 -6.5882e-03 2.9537e-03 2.6942e-03 -6.0000e+00 1.4438e-02 5.1298e-04 -8.3448e-04 1.5087e-04 3.1158e-05 -6.0000e+00 1.0420e-03 -1.0294e-02 -5.1900e-05 12 9 1 12 1 1 99.34 18.55 0.52 -0.01029 -0.01657 10 7 1 5 0 1949.400 21.88 15.00 18.55 16.83 13.2 973.19 -5711 -8646 3270 -5232 -26155 -11970 -7005 -7579 -14021 -3068 -11206 5615 -11358 100 -4526 2801 -4519 8128 -4001 2448 818 -666 -998 -2467 373 -1892 -332 -133 -1576 2210 1014 -925 4338 -1047 -4839 -4121 1248 -2766 -542 207 -2924 -940 316 942 292 101 325 -489 -1940 -339 1589 676 -385 1254 1924 1603 2389 947 1128 233 1468 2288 2062 1268 975 -608 -211 470 33 67 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