File name: Pandora55s1_QueensNY_20231024_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240113T162848.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20231024_L1_smca1c17d20220526p1-8.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: 20231024 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20231024T120048.3Z 8697.500559 102 1 51.04 2 82.85 112.28 150.68 326.24 0.00 1 0.00 1 0 25 9.721e-01 4.102e-02 3.000e-01 8.228e-03 8.139169e-01 4.974279e-03 9.514644e-03 -6.000000e+00 6.031874e-01 225.19 -2.00 3.51 -2.00 321.87 0.00e+00 -8.452814e-03 2.751650e-03 5.069196e-03 -6.000000e+00 3.021505e-02 283.24 -2.00 20.00 -2.00 321.37 0.00e+00 7.389 0.007 302.00 328.00 3 1.1738e+00 1.8739e-02 8.8062e-02 -6.0000e+00 1.4969e+00 9.8234e-01 2.4209e-02 5.1705e-02 -6.0000e+00 1.6381e+00 -1.4974e+00 1.8045e-02 2.7638e-02 -6.0000e+00 9.6636e-01 6.2704e-01 8.3495e-03 8.7301e-03 -6.0000e+00 4.0836e-01 4.8932e-05 -2.2011e-03 2.5438e-04 1.8304e-04 -6.0000e+00 3.2350e-02 1.1294e-02 0.0000e+00 12 9 8 11 4 0 -3.28 22.73 0.58 0.01129 -0.00525 37 7 1 5 0 1379.420 26.11 20.02 22.73 15.77 35.6 993.98 1448 900000 -49922 900000 900000 240598 900000 900000 440710 -32077 170577 -40989 -113858 900000 175385 -8522 900000 900000 900000 900000 196758 900000 -38113 295771 85782 900000 116682 31285 -14349 127204 900000 134044 160482 154314 900000 21874 17182 900000 900000 47515 255284 27463 112157 107409 900000 41654 900000 194011 356657 60560 53721 18167 900000 375649 87625 200404 73890 167088 63776 68472 145549 25951 1651 74517 -6286 73802 6147 21061 27239 8693 32114 47405 5637 53456 12448 21548 39343 -1090 -2081 -9599 26580 6214 8912 -3851 4114 -9988 -282 -9145 -849 -2828 -8770 2548 1868 -2808 370 -8696 -5659 -5037 -2422 -3226 -4767 -886 4076 3739 -1926 -3295 -2988 -2146 3865 -404 -6486 -834 -1874 -2104 422 2452 3766 -226 -995 -3168 -1731 4920 8701 821 1200 1160 3123 668 -1439 1717 2934 1982 1914 1202 -546 683 0 605 -1737 -1024 -1297 -458 -1868 61 900000 -3072 900000 900000 1923 900000 900000 3522 -1480 1363 -2291 -14345 900000 1736 -532 900000 900000 900000 900000 1592 900000 -2993 2364 2323 900000 2150 1196 -804 1893 900000 2358 2328 2363 900000 1117 991 900000 900000 3211 2504 2476 4497 4349 900000 2947 900000 3181 2851 3980 4117 2133 900000 3002 6457 5231 6508 5904 5677 5578 5718 3402 301 7518 -1409 7766 1225 3827 5186 2204 7055 9259 1589 9015 2791 4019 5905 -247 -533 -3085 7097 2268 3486 -1810 1900 -5537 -149 -5372 -458 -1500 -4679 1167 855 -1416 204 -6002 -4375 -4368 -2226 -3035 -4352 -719 2941 2692 -1528 -2818 -2693 -2061 3870 -472 -8838 -1167 -2722 -3040 582 3253 4952 -319 -1476 -4941 -2658 6931 11498 1132 1614 1526 3968 900 -2180 2848 5297 3866 3948 2637 -1282 1659 1 1520 -4432 -2530 -3070 -1015 -4037 SS 20231024T123515.1Z 8697.524480 119 1 39.74 2 76.96 118.41 153.25 342.23 0.00 1 0.00 1 0 25 1.905e-01 7.096e-03 7.525e-02 1.658e-03 5.182274e-01 8.702553e-04 6.011523e-03 -6.000000e+00 1.120803e-01 225.19 -2.00 3.51 -2.00 319.94 0.00e+00 2.057094e-03 2.903519e-04 4.306346e-04 -6.000000e+00 5.027674e-03 283.24 -2.00 20.00 -2.00 319.28 0.00e+00 4.316 0.001 302.00 328.00 3 1.5287e+00 2.5442e-03 5.0582e-02 -6.0000e+00 2.7650e-01 1.3697e-02 3.0981e-03 2.7370e-02 -6.0000e+00 3.0016e-01 -3.3307e-03 2.6595e-03 1.3589e-02 -6.0000e+00 1.7926e-01 -6.8227e-03 1.3664e-03 4.8598e-03 -6.0000e+00 7.6279e-02 8.9663e-04 -2.2169e-04 5.0184e-05 5.3024e-05 -6.0000e+00 5.7195e-03 1.3484e-02 0.0000e+00 12 9 1 12 5 1 99.99 22.75 0.19 0.01348 0.01182 138 33 1 5 0 285.860 26.11 20.01 22.75 17.57 35.5 1002.23 -44772 164669 -60622 -18984 -1930 -41997 28687 -7550 -24697 -41656 -29319 -31450 -63339 30404 -5928 -17839 -44934 24680 15736 7640 2995 -791 -11434 -4908 -3785 20464 -4251 -6278 -12238 -770 5953 1305 -5692 921 10501 -17 -5424 2287 1217 -2935 -925 -3414 -1842 -1475 2677 -1856 2056 1993 2622 1430 492 -174 3658 2037 1202 1538 -149 1227 662 1664 3038 1470 -1100 822 -765 1685 336 1628 1408 -257 351 -439 -823 -75 -98 535 1770 978 -333 -267 166 -1412 -944 -1323 -903 -1060 -730 -711 -519 -84 398 571 1283 948 1000 455 559 -270 -326 -447 -376 40 917 99 -959 -605 -1130 -65 315 203 -448 15 -184 35 513 875 982 324 -242 -968 -434 -129 114 -63 39 122 1298 829 74 540 82 367 -42 137 -359 -41 227 -360 -432 -185 -267 70 226 -629 349 -1095 -224 -19 -609 239 -100 -417 -874 -593 -752 -2455 613 -196 -742 -2614 823 606 329 138 -39 -649 -283 -230 1035 -267 -397 -825 -51 421 110 -559 87 900 -2 -623 291 185 -528 -179 -714 -394 -320 572 -417 453 450 611 357 134 -52 1140 684 424 561 -56 454 244 609 1149 612 -513 403 -387 819 163 803 756 -154 224 -291 -541 -47 -57 290 900 508 -190 -172 118 -1113 -789 -1167 -832 -1028 -732 -727 -529 -83 374 507 1102 828 938 471 636 -334 -423 -582 -468 47 1021 112 -1141 -750 -1460 -87 444 305 -712 25 -299 55 777 1284 1441 491 -382 -1579 -710 -208 179 -97 58 178 1844 1203 114 889 143 660 -78 263 -716 -84 477 -765 -920 -389 -546 137 438 SS 20231024T131528.7Z 8697.552416 145 1 49.48 2 70.52 126.18 154.02 3.10 0.00 1 0.00 1 0 25 1.984e-01 1.877e-02 4.162e-02 3.717e-03 3.524006e-01 1.918403e-03 4.205993e-03 -6.000000e+00 1.165754e-01 225.18 -2.00 3.51 -2.00 318.73 0.00e+00 -3.797273e-04 4.259679e-04 1.210348e-04 -6.000000e+00 5.234895e-03 283.24 -2.00 20.00 -2.00 318.00 0.00e+00 2.965 0.000 302.00 328.00 3 4.6859e+00 5.2296e-03 3.4540e-02 -6.0000e+00 2.8758e-01 1.1181e-02 6.0220e-03 1.8171e-02 -6.0000e+00 3.1232e-01 2.0142e-03 4.1219e-03 9.0028e-03 -6.0000e+00 1.8652e-01 -2.4693e-03 2.1282e-03 2.5836e-03 -6.0000e+00 7.9251e-02 1.6953e-04 -8.0086e-04 1.1721e-04 3.2005e-05 -6.0000e+00 5.9567e-03 2.2013e-02 0.0000e+00 12 9 8 11 36 0 99.98 22.75 0.59 0.02201 0.01599 24 5 1 5 0 2061.290 26.11 20.01 22.75 19.30 35.8 1011.54 -34631 7233 -44943 15579 84539 -6514 158487 4049 -6973 -28034 -3602 -34975 -62154 59559 -529 -18392 2727 39478 20748 34263 2858 6572 -16800 1280 -2344 48055 815 -3926 -5798 -1198 9979 343 -828 1016 33698 -6623 -6660 4515 5356 -5964 3102 -5110 -2691 97 8274 -2916 7903 3133 5280 -1146 -1478 -3561 -874 7208 1650 5033 989 5031 1517 1931 5563 815 -4168 1508 -4029 3296 -1786 652 1675 -2313 880 1757 -2252 2769 -877 2526 6275 -169 -635 -2454 2694 -385 -1092 -3026 -1203 -3097 -1852 -2594 -695 -816 -1842 733 1120 873 1373 -881 410 527 -526 -351 -1029 -636 1971 1150 21 -942 -788 410 2010 844 -1669 467 -458 -405 30 721 1624 670 3 -1724 -311 823 1672 -184 89 -196 841 30 -3 1001 1142 878 730 395 -494 -73 405 -338 -1064 -704 -869 263 -218 -2059 308 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