File name: Pandora55s1_QueensNY_20210501_L2Fit_fout2c11d20210101p1-8.txt File generation date: 20260625T184502.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c11p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v11d20210101.txt Level 1 file used: Pandora55s1_QueensNY_20210501_L1_smca1c11d20210101p1-8.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: 20210501 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]: 305.0145 305.1546 305.2946 305.4346 305.5746 305.7145 305.8545 305.9945 306.1344 306.2744 306.4143 306.5542 306.6941 306.8340 306.9739 307.1138 307.2536 307.3935 307.5333 307.6732 307.8130 307.9528 308.0926 308.2324 308.3722 308.5120 308.6517 308.7915 308.9312 309.0710 309.2107 309.3504 309.4901 309.6298 309.7695 309.9091 310.0488 310.1884 310.3281 310.4677 310.6073 310.7469 310.8865 311.0261 311.1657 311.3053 311.4448 311.5844 311.7239 311.8634 312.0029 312.1424 312.2819 312.4214 312.5609 312.7003 312.8398 312.9792 313.1187 313.2581 313.3975 313.5369 313.6763 313.8156 313.9550 314.0944 314.2337 314.3730 314.5124 314.6517 314.7910 314.9303 315.0695 315.2088 315.3481 315.4873 315.6265 315.7658 315.9050 316.0442 316.1834 316.3226 316.4617 316.6009 316.7401 316.8792 317.0183 317.1574 317.2966 317.4357 317.5747 317.7138 317.8529 317.9919 318.1310 318.2700 318.4090 318.5481 318.6871 318.8260 318.9650 319.1040 319.2429 319.3819 319.5208 319.6598 319.7987 319.9376 320.0765 320.2153 320.3542 320.4931 320.6319 320.7708 320.9096 321.0484 321.1872 321.3260 321.4648 321.6036 321.7423 321.8811 322.0198 322.1586 322.2973 322.4360 322.5747 322.7134 322.8520 322.9907 323.1294 323.2680 323.4066 323.5453 323.6839 323.8225 323.9611 324.0996 324.2382 324.3768 324.5153 324.6538 324.7924 324.9309 --------------------------------------------------------------------------------------- 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 20210501T103706.3Z 7791.442434 211 1 46.58 2 82.96 75.96 70.57 201.98 0.00 1 0.00 1 0 17 7.210e-01 2.825e-02 3.104e-01 6.716e-03 1.147384e+00 4.234361e-03 1.350042e-02 -6.000000e+00 4.499365e-01 229.93 -2.00 3.51 -2.00 322.36 0.00e+00 -7.207885e-03 2.690665e-03 1.916260e-02 -6.000000e+00 2.242462e-02 282.10 -2.00 20.00 -2.00 321.94 0.00e+00 7.495 0.008 302.00 328.00 3 2.0353e-01 1.7585e-02 1.4804e-01 -6.0000e+00 1.1221e+00 1.4148e+00 2.4747e-02 1.5940e-01 -6.0000e+00 1.2197e+00 -1.8737e+00 2.2227e-02 6.1771e-02 -6.0000e+00 7.2343e-01 7.4358e-01 9.9332e-03 1.0856e-02 -6.0000e+00 3.0597e-01 6.9032e-05 -2.4144e-03 1.7862e-04 3.5662e-04 -6.0000e+00 2.3548e-02 1.7033e-03 5.7251e-05 12 9 9 12 1 1 95.37 22.78 0.37 0.00170 -0.01644 54 11 1 5 0 843.540 25.68 20.00 22.78 10.77 27.6 1035.44 -70665 900000 900000 -133201 900000 900000 -108099 900000 -28304 41670 -133795 -31661 -150808 -68170 900000 90581 -61633 -74686 900000 900000 900000 174434 103742 30513 55404 48199 900000 -9420 -21053 -90484 86035 900000 80383 -5868 164553 900000 -29613 14789 900000 900000 96704 105412 33790 115245 112826 900000 48053 900000 900000 137221 21043 31083 52647 900000 281486 106812 269841 166977 285491 78327 33417 165499 16200 2171 103173 -3205 66674 17226 55980 46957 20108 29279 52660 8705 80018 11732 37845 58286 -949 15628 507 38582 12401 14479 -1550 6292 -650 3024 -3479 3653 -6813 -4683 635 184 -1463 -732 -5477 -2992 -5259 -6258 -1804 -3033 1254 4663 2791 -2796 -2026 -711 -649 895 -1759 -5290 -572 -2164 -787 -1949 1151 2162 -1378 -925 -1562 1749 2457 4694 710 1253 519 3334 1058 -1785 461 1169 1666 1331 841 -368 419 771 375 -873 -1183 -429 -532 -1657 -1309 900000 900000 -4474 900000 900000 -2102 900000 -288 272 -4083 -389 -6792 -1694 900000 669 -2207 -3206 900000 900000 900000 1138 700 441 681 661 900000 -207 -479 -3957 772 900000 1079 -195 1074 900000 -1148 409 900000 900000 1943 2112 1375 2128 2048 900000 1540 900000 900000 2156 1108 1672 2582 900000 1837 3930 2139 3597 1863 3510 2163 3051 1349 234 4856 -437 4861 2080 5121 5275 3246 4655 6833 1624 7032 1730 3956 4911 -150 2480 112 7086 3337 4222 -559 2223 -255 1185 -1463 1416 -2784 -1782 223 67 -593 -345 -3204 -2011 -4136 -5417 -1529 -2464 887 2915 1725 -1886 -1438 -528 -524 806 -1873 -6607 -754 -3030 -1102 -2733 1553 2933 -1990 -1378 -2365 2507 3324 5976 909 1564 639 3997 1378 -2712 794 2241 3474 2977 2015 -943 1108 2071 1011 -2351 -3081 -1040 -1203 -3615 SS 20210501T104722.3Z 7791.449564 214 1 50.66 2 81.07 77.57 71.31 204.22 0.00 1 0.00 1 0 25 8.192e-01 1.596e-02 1.960e-01 2.502e-03 9.775965e-01 1.464109e-03 1.060804e-02 -6.000000e+00 5.030445e-01 229.93 -2.00 3.51 -2.00 321.76 0.00e+00 8.117502e-03 8.361564e-04 3.858202e-03 -6.000000e+00 2.258926e-02 282.10 -2.00 20.00 -2.00 321.29 0.00e+00 6.098 0.004 302.00 328.00 3 1.8886e-01 5.4672e-03 8.6817e-02 -6.0000e+00 1.2613e+00 4.3725e-01 8.5418e-03 7.0539e-02 -6.0000e+00 1.3726e+00 -5.2605e-01 9.2461e-03 3.0339e-02 -6.0000e+00 8.1038e-01 2.0806e-01 4.1439e-03 1.5455e-02 -6.0000e+00 3.3256e-01 3.4149e-04 -1.5918e-03 6.4946e-05 1.5209e-04 -6.0000e+00 2.5127e-02 7.2428e-04 2.9628e-05 12 8 8 10 0 0 24.45 22.78 0.30 0.00072 -0.01124 163 31 1 5 0 308.810 25.68 20.00 22.78 11.17 27.6 1037.61 -237567 -236919 900000 -349797 -256664 -162521 -306059 900000 -195734 -198213 -298022 -228342 -299967 -106395 900000 7526 -194337 900000 900000 107757 -16500 -26767 -1718 -87519 -34773 -122635 900000 -118956 -49125 -121778 -1280 -46918 -13058 -43662 -2380 900000 -50192 1121 43915 52578 -11700 21879 -11846 27059 11979 62446 15390 25916 46551 17662 13690 6042 14834 30227 30073 16144 26399 16771 23170 12232 2132 19706 2522 4363 11388 4191 11600 4583 10259 9777 4124 4197 6998 495 8772 -455 5815 6241 1635 527 -444 4107 1268 1140 -2852 678 -2698 -285 -1813 -52 -1474 -562 -491 1171 -34 -467 -867 -671 -1236 -2066 -634 -1163 515 1006 -570 -2340 -1248 -769 -783 -209 -954 -1442 -660 -260 -459 202 983 1177 409 -454 -374 278 1068 1023 734 61 809 1879 1012 -218 401 367 712 768 356 -391 -30 293 -454 -608 -458 -164 -90 -399 -1012 -1270 900000 -6502 -1870 -449 -3497 900000 -918 -1028 -4419 -2022 -6834 -517 900000 21 -4720 900000 900000 263 -104 -189 -10 -1191 -306 -2650 900000 -2571 -558 -3037 -12 -894 -223 -1133 -44 900000 -1472 23 713 942 -446 677 -540 898 472 1581 632 1026 1639 899 810 434 1112 2177 2354 1523 2363 1659 2130 1208 230 1906 321 631 1746 738 1961 856 1971 2127 1060 1163 1933 140 2148 -110 1220 1282 379 144 -147 1527 551 541 -1491 362 -1554 -167 -1094 -31 -846 -306 -257 610 -19 -304 -660 -588 -1226 -2222 -683 -1193 477 855 -485 -2093 -1160 -748 -819 -241 -1235 -2067 -1005 -406 -715 306 1461 1757 634 -732 -611 443 1625 1500 1053 86 1109 2529 1442 -348 713 715 1475 1670 817 -946 -74 743 -1159 -1544 -1128 -385 -199 -860 SS 20210501T110822.5Z 7791.464149 227 1 51.01 2 77.16 80.85 73.01 208.66 0.00 1 0.00 1 0 25 3.975e-01 7.255e-03 3.756e-02 8.377e-04 7.402293e-01 4.551378e-04 8.348993e-03 -6.000000e+00 2.375751e-01 229.93 -2.00 3.51 -2.00 320.62 0.00e+00 3.106631e-03 1.896929e-04 1.449828e-03 -6.000000e+00 1.040619e-02 282.11 -2.00 20.00 -2.00 320.04 0.00e+00 4.380 0.001 302.00 328.00 3 1.7172e-01 1.4186e-03 5.9725e-02 -6.0000e+00 5.9290e-01 1.0445e-01 1.8667e-03 4.1545e-02 -6.0000e+00 6.4152e-01 -7.2921e-02 1.8510e-03 2.0168e-02 -6.0000e+00 3.8173e-01 1.7714e-02 9.0911e-04 7.8976e-03 -6.0000e+00 1.5952e-01 2.3341e-03 -1.0170e-03 2.2851e-05 7.5470e-05 -6.0000e+00 1.1867e-02 1.1241e-03 2.7088e-05 11 8 0 10 0 0 26.11 22.78 0.21 0.00112 -0.00652 443 84 1 5 0 113.830 25.68 19.99 22.78 11.89 27.6 1041.28 -178899 -103271 -91098 -147019 -112301 -151005 -134712 -72824 -107414 -126047 -113198 -119316 -97939 -86935 -31492 -38214 -49005 -54251 -8042 -10714 -29763 -17825 -24631 -19121 -25042 -21009 -662 -22881 -19752 -25047 -7966 -11799 -1161 -12820 -4891 428 -4791 -5365 993 292 -2594 -588 -3692 398 -314 4343 -1398 3014 1206 2667 2174 1359 2499 2695 2954 1522 1963 -170 1630 179 1576 2581 2011 1227 1373 1647 2460 1799 2194 1713 282 60 -547 -570 -296 -14 674 1063 1313 -150 254 -73 -1168 -1497 -1492 -1226 -1193 -765 -589 -471 -34 599 586 1444 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