File name: Pandora55s1_QueensNY_20230906_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240113T061949.1Z 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_20230906_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: 20230906 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 20230906T112016.3Z 8649.472411 230 1 49.84 2 80.79 89.41 20.67 224.80 0.00 1 0.00 1 0 25 5.821e-01 3.484e-02 1.839e-01 5.389e-03 7.128781e-01 3.161239e-03 8.472397e-03 -6.000000e+00 3.610825e-01 230.00 -2.00 3.51 -2.00 321.35 0.00e+00 5.006947e-03 1.665888e-03 4.443510e-03 -6.000000e+00 1.839610e-02 288.67 -2.00 20.00 -2.00 320.75 0.00e+00 5.931 0.004 302.00 328.00 3 2.0102e+00 1.1379e-02 7.2849e-02 -6.0000e+00 9.0501e-01 4.5913e-01 1.5294e-02 4.5899e-02 -6.0000e+00 9.8731e-01 -7.1343e-01 1.2885e-02 2.3879e-02 -6.0000e+00 5.8273e-01 3.0391e-01 5.9382e-03 6.9587e-03 -6.0000e+00 2.4222e-01 9.2135e-05 -9.5817e-04 1.6371e-04 1.3421e-04 -6.0000e+00 1.8248e-02 9.2980e-03 0.0000e+00 12 9 8 11 4 0 22.39 22.62 0.52 0.00930 0.00210 34 6 1 5 0 1465.660 26.00 20.01 22.62 33.36 36.4 1091.91 -28201 900000 -142913 900000 900000 -117653 900000 211079 266270 -111938 -109430 -48022 -200732 900000 4542 -49559 900000 900000 900000 900000 900000 124128 -49192 38976 68467 900000 143567 -24805 -3849 11469 900000 44402 -14330 53117 900000 33561 -4953 206583 128864 45035 82893 16141 23682 43454 135755 16867 94460 70506 99475 30427 30266 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-1403 -3629 -973 -3576 -709 -3886 -1395 -1199 1981 62 -1267 -2162 -2813 -265 2304 1108 -5133 625 -664 -728 -946 1528 3768 960 156 -3099 545 2959 7245 1115 1114 601 3736 146 -370 1851 2714 3369 1649 2997 -1032 1153 -35 -87 -4708 -1712 -2076 -1146 -1862 SS 20230906T113055.7Z 8649.479812 235 1 50.43 2 78.78 91.16 22.11 229.94 0.00 1 0.00 1 0 25 4.084e-01 1.296e-02 1.282e-01 2.379e-03 6.227341e-01 1.307345e-03 7.095607e-03 -6.000000e+00 2.465844e-01 230.00 -2.00 3.51 -2.00 320.65 0.00e+00 4.110743e-03 5.553377e-04 4.524047e-04 -6.000000e+00 1.117410e-02 288.67 -2.00 20.00 -2.00 319.97 0.00e+00 4.957 0.002 302.00 328.00 3 1.6699e+00 4.1949e-03 5.9412e-02 -6.0000e+00 6.1467e-01 7.2990e-02 5.4388e-03 3.3413e-02 -6.0000e+00 6.6467e-01 -1.0972e-01 4.9068e-03 1.7545e-02 -6.0000e+00 3.9513e-01 3.9154e-02 2.4018e-03 7.4739e-03 -6.0000e+00 1.6746e-01 3.7184e-04 -2.8428e-04 7.0609e-05 8.1294e-05 -6.0000e+00 1.2482e-02 9.4339e-03 0.0000e+00 12 9 8 11 4 0 44.56 22.62 0.37 0.00943 0.00730 83 16 1 5 0 607.570 26.00 19.98 22.62 33.75 36.6 1094.09 -184941 900000 -178936 70449 -2887 -82627 900000 -54097 -71692 -153447 -90662 -113796 -146373 90006 -5588 -68913 19130 127687 47926 58219 3033 14995 -50256 -1013 -36179 159137 -13034 -12903 -39098 -2140 3389 1618 -19506 -7713 50392 -13071 -2369 5506 19560 -2711 7476 -6878 1892 257 14018 -2665 9406 8106 9969 4868 691 -83 11095 9465 4662 7778 4204 5159 480 2596 6937 1556 36 5345 -3170 4737 994 2455 2023 -616 1469 2030 -2124 3256 -954 1863 2871 32 -1957 -1902 1398 -1946 -1683 -2839 -970 -2809 -531 -1279 -377 -1090 4 787 469 690 332 -146 -57 -263 -545 -510 -655 76 1150 -40 -894 -456 -1213 -198 677 105 -946 62 -33 -119 117 1036 1380 576 -304 -1063 -252 364 563 219 -1 129 1416 693 409 512 353 547 338 399 -319 -110 0 -327 -771 -332 -66 -41 -104 -4061 900000 -4221 163 -12 -739 900000 -459 -792 -3925 -1405 -2629 -5777 467 -89 -2311 312 805 697 805 72 327 -2129 -29 -1550 1101 -465 -459 -1832 -79 140 79 -1288 -473 1774 -859 -159 407 1518 -297 821 -917 244 34 1692 -383 1243 1127 1436 788 128 -17 2242 2082 1125 1900 1076 1305 125 664 1792 463 12 1864 -1233 1700 368 933 849 -293 739 1048 -1126 1569 -443 781 1139 14 -917 -1024 829 -1314 -1218 -2189 -775 -2397 -465 -1148 -335 -946 3 611 355 538 283 -139 -61 -306 -673 -632 -780 84 1198 -42 -991 -530 -1472 -251 909 153 -1477 100 -54 -188 179 1534 2045 883 -487 -1760 -416 589 886 337 -1 189 2016 1014 641 869 638 1031 661 810 -676 -242 -1 -740 -1753 -740 -143 -84 -213 SS 20230906T113700.5Z 8649.484033 238 1 50.36 2 77.63 92.16 22.98 232.62 0.00 1 0.00 1 0 33 2.411e-01 8.164e-03 6.107e-02 1.656e-03 5.776770e-01 8.952666e-04 6.612534e-03 -6.000000e+00 1.444990e-01 230.00 -2.00 3.51 -2.00 320.26 0.00e+00 2.495848e-03 3.348622e-04 6.276372e-04 -6.000000e+00 6.593966e-03 288.67 -2.00 20.00 -2.00 319.54 0.00e+00 4.531 0.002 302.00 328.00 3 1.4910e+00 2.7335e-03 5.4698e-02 -6.0000e+00 3.5987e-01 2.6399e-02 3.4282e-03 3.1468e-02 -6.0000e+00 3.8884e-01 -3.2266e-02 3.0027e-03 1.5351e-02 -6.0000e+00 2.3225e-01 3.4461e-03 1.5104e-03 6.0653e-03 -6.0000e+00 9.8874e-02 7.0132e-04 -3.6553e-05 4.9252e-05 5.9869e-05 -6.0000e+00 7.2498e-03 9.1632e-03 0.0000e+00 11 9 0 11 4 0 50.72 22.62 0.23 0.00916 0.00889 123 23 1 5 0 409.330 26.00 19.99 22.62 33.85 36.5 1094.92 -103372 900000 -117945 -49059 -19400 -80218 76769 -41289 -61940 -89831 -63831 -62877 -91014 39865 -20945 -34648 -2917 41308 19883 11390 -6796 392 -24832 -8919 -15166 31332 -7054 -15079 -21687 -1276 3662 -1915 -12421 -2084 13834 -2995 -5124 3222 3713 -3689 581 -4605 -360 -1879 4982 -3751 3392 1729 4689 1621 958 -1114 5037 4420 1479 3627 274 2107 207 1702 4186 1685 -18 1931 -1378 2705 538 1511 1531 -157 552 -58 -1099 303 -204 716 1918 549 -674 -1131 122 -1111 -1261 -1517 -1399 -1450 -854 -1035 -446 34 110 928 1391 1036 981 255 509 -280 -454 -374 -465 338 1033 193 -741 -507 -799 -50 396 -69 -650 -77 -149 -105 634 890 952 348 -363 -976 -371 -227 100 -91 -47 182 1301 942 -27 478 179 601 308 248 -392 -133 118 -294 -543 -249 -188 -26 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