File name: Pandora55s1_QueensNY_20211118_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105234.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211118_L1_smca1c19d20211111p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20211118 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: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20211118T124015.3Z 7992.527955 285 1 49.68 2 81.92 124.32 107.22 308.67 0.00 1 0.00 1 0 25 7.100e-01 3.321e-02 2.359e-01 6.273e-03 7.652755e-01 3.601580e-03 8.630728e-03 -6.000000e+00 4.259899e-01 223.23 -2.00 3.51 -2.00 321.65 0.00e+00 1.098633e-02 1.898791e-03 3.213030e-03 -6.000000e+00 2.150608e-02 280.22 -2.00 20.00 -2.00 321.16 0.00e+00 6.664 0.005 302.00 328.00 3 1.3998e+00 1.2775e-02 8.2204e-02 -6.0000e+00 1.0526e+00 6.7748e-01 1.6768e-02 5.7942e-02 -6.0000e+00 1.1539e+00 -9.7699e-01 1.4881e-02 2.1133e-02 -6.0000e+00 6.7884e-01 4.0546e-01 7.0048e-03 1.4358e-02 -6.0000e+00 2.8461e-01 7.8429e-05 -3.6605e-03 1.8775e-04 1.4496e-04 -6.0000e+00 2.2720e-02 -7.7704e-04 -9.1777e-05 12 8 8 10 0 0 32.76 22.77 0.41 -0.00078 -0.02828 41 8 1 5 0 1211.470 25.68 20.00 22.77 18.11 30.4 1006.57 -51061 900000 900000 -168211 900000 900000 -35171 900000 900000 -35317 -140202 -64269 -135736 -106510 900000 143237 -91985 181724 900000 900000 900000 141444 76342 24358 -7857 2101 900000 376263 -19709 -80008 98759 146423 112020 -40619 99235 900000 65785 10232 900000 150990 33693 116477 -11672 46555 46258 332092 -3710 171250 83390 87714 34530 20525 10451 80670 97369 45030 85004 55760 66791 9070 35157 53131 26635 144 41513 660 33130 5346 14104 14733 -4865 14004 17599 -392 28710 6438 15549 23378 3566 1682 -780 9649 4816 915 -5607 -885 -5347 -1617 -5658 -101 -4780 -3790 -5620 855 -5041 -789 -9268 -3968 -2195 -4341 458 -486 -1267 3064 2475 -2947 -1834 -3232 273 2462 593 -4461 -569 -668 -1880 144 247 2629 -678 870 -1720 746 2132 4812 542 2722 1358 1030 1369 -1611 1809 935 2309 1549 1241 -529 575 174 -523 -1522 -572 -592 -846 -1421 -872 900000 900000 -10173 900000 900000 -459 900000 900000 -480 -5252 -1253 -6309 -4798 900000 882 -6121 1109 900000 900000 900000 1134 1111 583 -258 63 900000 2296 -688 -5146 1332 1497 1867 -3113 2028 900000 1770 508 900000 2621 1987 3371 -1177 2807 2834 2027 -374 3420 3993 4274 2975 2210 1353 5830 6368 4951 6564 5592 5914 1329 4025 5407 3859 30 6494 157 5820 1223 3126 3607 -1581 4085 5058 -129 6715 1692 3438 4645 902 493 -276 3587 2101 449 -3080 -492 -3259 -992 -3663 -62 -2946 -2201 -3152 449 -2962 -504 -7353 -3458 -2118 -4569 467 -473 -1138 2479 2012 -2637 -1715 -3233 285 2761 752 -6475 -845 -1008 -2826 206 346 3653 -1002 1332 -2751 1163 3185 6832 777 3746 1842 1385 1919 -2547 3101 1753 4555 3229 2723 -1235 1382 427 -1304 -3807 -1388 -1371 -1867 -3061 SS 20211118T125913.3Z 7992.541126 291 1 49.41 2 79.02 127.77 109.81 312.43 0.00 1 0.00 1 0 25 2.862e-01 8.637e-03 1.314e-01 1.888e-03 6.283580e-01 1.006556e-03 7.323983e-03 -6.000000e+00 1.675729e-01 223.23 -2.00 3.51 -2.00 320.64 0.00e+00 3.395638e-03 4.197024e-04 2.000093e-03 -6.000000e+00 7.524526e-03 280.21 -2.00 20.00 -2.00 320.08 0.00e+00 5.062 0.002 302.00 328.00 3 1.1249e+00 3.1277e-03 6.0915e-02 -6.0000e+00 4.1255e-01 2.9606e-02 4.0923e-03 3.6698e-02 -6.0000e+00 4.4934e-01 -3.4157e-02 4.0437e-03 1.6909e-02 -6.0000e+00 2.6742e-01 4.8276e-03 1.9965e-03 6.4757e-03 -6.0000e+00 1.1273e-01 5.8973e-04 -2.2049e-03 5.5118e-05 6.7219e-05 -6.0000e+00 8.6758e-03 -1.4548e-03 -6.9699e-05 11 8 0 10 0 0 61.25 22.77 0.27 -0.00145 -0.01802 132 25 1 5 0 374.230 25.68 20.00 22.77 19.48 30.7 1014.20 24024 283 900000 -187953 26972 -74205 -76311 900000 -26278 -87386 -117763 -53922 -102913 -76841 25649 -2358 -74281 9910 61658 29853 27137 -12567 12320 -13370 -8590 -27854 70586 -9320 -6148 -35026 -2616 -5083 -323 -16985 3620 26906 -5855 -2082 5866 6642 -7785 -173 -8517 -3906 -1503 5895 -3765 5424 3575 5654 2338 -228 1106 3889 4778 1565 3824 2579 2299 191 789 3559 1702 -80 1369 -640 3230 1703 2283 1849 -1216 -214 491 -1535 1542 -663 1515 2030 783 -114 -73 468 -1193 -904 -2103 -1190 -1350 -712 -1189 -113 -177 451 20 1597 1315 654 366 394 8 -918 -397 -287 512 1210 -68 -1190 -736 -738 -116 564 -264 -612 -305 118 -194 862 935 1069 237 -246 -1112 -572 80 89 -117 13 515 1288 879 -2 292 50 491 319 334 -406 -127 131 -575 -564 -150 -164 211 228 48 1 900000 -3895 68 -488 -538 900000 -147 -958 -1860 -522 -1924 -1428 229 -33 -2372 160 670 470 457 -314 251 -373 -248 -1026 1073 -301 -192 -1495 -94 -221 -16 -1054 191 1135 -349 -137 430 574 -880 -20 -1134 -519 -200 753 -537 733 512 842 389 -43 227 844 1105 389 971 671 597 50 206 957 514 -27 501 -245 1183 634 887 800 -597 -111 260 -814 756 -307 638 822 333 -54 -40 288 -822 -663 -1643 -971 -1159 -632 -1075 -100 -153 370 16 1217 1042 570 357 428 10 -1152 -495 -340 563 1266 -72 -1338 -862 -900 -148 768 -391 -962 -495 191 -308 1313 1389 1595 366 -397 -1840 -940 129 140 -180 20 750 1836 1294 -2 502 91 932 624 682 -865 -279 293 -1299 -1278 -332 -353 436 463 SS 20211118T130537.0Z 7992.545568 294 1 49.07 2 78.07 128.97 110.65 313.74 0.00 1 0.00 1 0 25 1.937e-01 7.471e-03 4.862e-02 1.441e-03 5.863643e-01 7.579573e-04 6.896735e-03 -6.000000e+00 1.126233e-01 223.23 -2.00 3.51 -2.00 320.32 0.00e+00 2.355472e-03 2.834660e-04 1.549751e-03 -6.000000e+00 5.093036e-03 280.21 -2.00 20.00 -2.00 319.73 0.00e+00 4.690 0.002 302.00 328.00 3 1.0386e+00 2.2700e-03 5.6061e-02 -6.0000e+00 2.7689e-01 1.8451e-02 2.8529e-03 3.2656e-02 -6.0000e+00 3.0140e-01 -2.6799e-02 2.6665e-03 1.5482e-02 -6.0000e+00 1.8017e-01 3.1595e-03 1.3470e-03 5.1729e-03 -6.0000e+00 7.6271e-02 9.5742e-04 -2.1229e-03 4.2450e-05 5.9678e-05 -6.0000e+00 5.7850e-03 -7.9570e-04 -8.5211e-05 11 8 0 10 0 0 3.85 22.77 0.17 -0.00080 -0.01675 175 33 1 5 0 280.300 25.58 20.00 22.77 19.75 30.6 1015.22 -28241 -42373 900000 -123874 -13091 -67327 -64379 -6225 -27992 -63364 -83028 -40811 -67094 -45030 -1565 -1681 -40931 -25780 10074 5469 -5348 -4081 -4155 -8576 -8513 -9812 20675 -5759 -9215 -21530 1588 281 379 -11639 -5070 10083 -6315 -1793 4752 2077 -4574 113 -4490 -2429 -592 3320 -2512 1555 3262 2717 2420 -718 991 2661 3684 471 2696 -42 1714 490 1148 3334 2328 418 721 212 1629 1494 1372 1624 -302 -567 319 -1171 251 -475 1032 1021 1321 346 -283 2 -1613 -1142 -1770 -1003 -1329 -478 -1093 -244 -229 642 438 1570 1333 1235 458 506 -253 -614 -178 -204 481 930 -63 -1266 -581 -944 43 273 -112 -643 -374 14 -147 809 1038 1047 298 -392 -933 -522 -236 -91 58 -153 631 1506 1089 -50 261 16 450 440 139 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