File name: Pandora187s1_PittsburghPA_20211013_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T074512.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Luke 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_v2d20210517.txt Instrument calibration file used: Pandora187s1_CF_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20211013_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: 20211013 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 20211013T122218.9Z 7956.515497 64 1 45.29 2 81.02 108.62 162.86 31.39 0.00 1 0.00 1 0 25 4.678e-01 1.537e-02 3.841e-01 1.311e-02 6.135681e-01 7.096841e-03 6.953313e-03 -6.000000e+00 2.684195e-01 226.10 -2.00 3.49 -2.00 321.36 0.00e+00 1.855614e-03 3.597040e-03 2.120545e-03 -6.000000e+00 1.282092e-02 283.44 -2.00 20.00 -2.00 320.80 0.00e+00 6.067 0.004 302.00 328.00 3 2.1923e+00 2.5010e-02 6.8007e-02 -6.0000e+00 6.6498e-01 1.1478e-01 3.4367e-02 3.7180e-02 -6.0000e+00 7.2402e-01 -1.7440e-01 3.4060e-02 1.6859e-02 -6.0000e+00 4.3081e-01 7.5348e-02 1.6071e-02 5.7658e-03 -6.0000e+00 1.8483e-01 9.5436e-05 -2.2410e-03 3.9621e-04 6.3088e-05 -6.0000e+00 1.3322e-02 6.0144e-03 -1.2218e-04 12 8 8 10 0 0 99.87 18.80 0.44 0.00601 -0.01083 34 10 1 5 0 1331.510 22.09 15.00 18.80 24.86 11.5 969.57 -244456 900000 -226706 900000 -207560 15573 -187622 -147834 900000 -105037 62868 -106527 900000 36039 -66229 11737 -62723 56119 37266 100119 900000 -40619 -17543 16199 46944 -38892 -24030 2558 31790 81559 24410 -5797 19484 19572 -1609 53036 25385 10383 -2744 31272 -9216 10492 14132 12609 3464 13652 7970 -5993 -7807 6545 5993 207 5029 -881 19988 1512 1311 517 12014 2456 6248 11042 7068 4506 4324 5064 742 1851 5278 3972 1266 3829 -2793 -2189 -1655 -3682 -5339 -3393 -4045 -2858 -3851 -1889 -3268 -2758 1385 501 2485 2286 2050 3932 -535 -16 4016 -3112 -2680 -1107 133 376 -893 453 -108 -477 -843 -956 -3541 -594 -3380 45 1472 423 -779 1860 122 -940 191 -1874 629 -180 904 -714 622 1057 -464 1093 511 -281 2235 -197 1127 -37 -34 929 54 540 123 -345 -25 -519 -441 -201 -47 -361 -6243 900000 -5567 900000 -3670 199 -3394 -2045 900000 -1341 803 -1474 900000 460 -1198 150 -1402 717 476 1278 900000 -908 -336 241 599 -1117 -588 46 480 1041 538 -202 588 591 -58 1170 855 494 -182 1706 -824 816 1099 1010 310 1125 712 -640 -897 714 737 30 753 -150 2900 274 240 94 1897 433 1146 2179 1641 1156 1104 1252 195 518 1636 1402 488 1449 -1083 -780 -528 -1103 -1605 -1087 -1531 -1257 -1967 -1050 -1969 -1767 913 352 1777 1650 1444 2551 -338 -9 2340 -2142 -2115 -996 135 420 -1028 489 -106 -432 -761 -924 -3745 -644 -4034 57 2036 600 -1189 2786 196 -1446 278 -2782 951 -291 1391 -1119 1018 1663 -717 1597 725 -389 3116 -314 1828 -66 -66 1854 115 1228 297 -855 -63 -1312 -1074 -462 -102 -762 SS 20211013T153235.7Z 7956.647636 178 1 45.87 2 53.05 150.58 132.22 89.06 0.00 1 0.00 1 0 17 1.197e-02 7.150e-03 1.111e-02 4.427e-03 1.946480e-01 2.216032e-03 2.388253e-03 -6.000000e+00 6.862366e-03 226.09 -2.00 3.49 -2.00 316.96 0.00e+00 5.278183e-04 2.976487e-04 1.023442e-04 -6.000000e+00 3.065754e-04 283.42 -2.00 20.00 -2.00 316.23 0.00e+00 1.659 0.000 302.00 328.00 3 4.9191e+00 5.7942e-03 1.8912e-02 -6.0000e+00 1.6975e-02 5.6352e-02 6.5233e-03 1.0106e-02 -6.0000e+00 1.8455e-02 -8.6038e-04 3.8440e-03 4.9368e-03 -6.0000e+00 1.1011e-02 -4.1035e-03 1.8398e-03 1.4672e-03 -6.0000e+00 4.6882e-03 6.2718e-04 2.3647e-04 1.3123e-04 1.7480e-05 -6.0000e+00 3.3418e-04 1.3245e-03 1.0046e-04 11 8 0 10 0 0 99.97 18.80 0.63 0.00132 0.00310 91 28 1 5 0 503.950 22.09 15.00 18.80 28.40 11.7 993.84 -2270 -1747 -3348 -3348 -5263 1768 -3447 102 -662 -3071 -1440 -2120 -289 1543 -1083 342 -154 970 1013 1138 1683 1567 2140 367 992 -401 -938 -721 30 1253 1636 1354 1092 -1925 -3002 -722 -783 -1097 -1165 -139 -1541 -521 -543 178 -40 -337 -306 -984 -563 928 461 182 1086 137 2254 882 710 573 1142 817 1383 1768 1677 612 -454 -747 -1174 -302 385 8 0 347 393 647 -217 -601 -1367 -367 -1057 -1184 -1523 -1711 -1940 -1381 -773 -3 496 592 594 833 115 -667 457 -599 -373 -154 732 633 165 -396 -1122 -296 247 -206 -1254 -413 -614 326 1043 791 180 756 227 -338 108 -584 -503 -139 -301 -460 -41 -62 -4 333 42 -199 1445 607 1092 552 444 535 553 334 -81 -368 -79 -302 -120 -107 -540 -778 -371 -297 -564 -505 -731 229 -510 16 -114 -547 -247 -388 -58 343 -273 90 -41 266 286 329 482 448 630 115 320 -133 -300 -212 9 381 523 463 392 -685 -1017 -249 -306 -510 -581 -76 -906 -312 -330 107 -24 -199 -192 -601 -336 559 296 124 766 101 1650 665 537 427 835 610 1089 1495 1510 562 -393 -591 -885 -232 326 8 0 348 384 593 -182 -452 -960 -257 -820 -1029 -1464 -1766 -2100 -1582 -945 -3 598 720 771 1003 127 -673 431 -587 -397 -180 939 866 226 -512 -1351 -333 284 -257 -1677 -573 -890 489 1490 1185 274 1100 339 -463 137 -739 -662 -195 -454 -717 -64 -94 -5 453 55 -245 1744 779 1483 787 648 791 847 542 -126 -590 -129 -498 -213 -184 -901 -1274 SS 20211013T153859.1Z 7956.652072 182 1 46.92 2 52.47 152.43 131.06 90.05 0.00 1 0.00 1 0 25 1.125e-02 7.498e-03 6.045e-03 3.029e-03 1.921860e-01 1.535125e-03 2.390195e-03 -6.000000e+00 6.450909e-03 226.09 -2.00 3.49 -2.00 316.17 0.00e+00 6.739331e-04 1.702950e-04 1.154080e-04 -6.000000e+00 2.881756e-04 283.42 -2.00 20.00 -2.00 315.48 0.00e+00 1.638 0.000 302.00 328.00 3 4.9961e+00 3.9729e-03 1.8681e-02 -6.0000e+00 1.5957e-02 6.3223e-02 4.4456e-03 1.0013e-02 -6.0000e+00 1.7348e-02 -3.7606e-03 2.5686e-03 4.8960e-03 -6.0000e+00 1.0350e-02 -3.8495e-03 1.1989e-03 1.5088e-03 -6.0000e+00 4.4073e-03 5.9443e-04 1.9709e-04 8.8625e-05 1.8977e-05 -6.0000e+00 3.1411e-04 1.1648e-03 1.1705e-04 11 8 0 10 0 0 99.99 18.80 0.68 0.00116 0.00265 19 6 1 5 0 2469.280 22.09 14.99 18.80 28.64 11.8 995.55 -1420 959 -4172 -2990 -3654 -1892 -653 -290 1630 -2560 -925 -723 955 1060 500 833 -166 2119 1469 2640 802 522 660 773 335 -306 -428 564 807 1366 1422 1044 1099 -2725 -3365 -2406 -649 -1703 -479 -1103 -1433 -293 -867 -50 219 -540 -413 -1501 -1023 381 211 577 74 1014 1434 878 1331 472 255 596 1148 2080 1879 660 -180 -908 -1160 86 522 -198 394 354 299 276 -2 -104 -809 -766 -958 -1136 -1486 -1724 -1819 -1312 -471 -241 402 790 713 1036 34 46 223 -449 -326 -160 1242 419 -251 -197 -690 -555 -8 -132 -1153 -898 -285 256 928 544 180 816 295 -478 -222 -362 -372 -598 -54 -628 -495 334 -397 244 -5 -244 1167 845 1187 775 445 718 552 194 223 -303 126 -479 -187 -213 -606 -802 -280 193 -950 -602 -669 -340 -125 -62 366 -604 -210 -173 252 314 165 288 -59 762 547 995 306 199 261 318 144 -134 -180 216 291 496 545 427 472 -1168 -1367 -1008 -302 -947 -282 -729 -1001 -208 -629 -36 156 -380 -280 -996 -663 249 147 420 56 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