File name: Pandora55s1_QueensNY_20240815_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240816T052233.9Z 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_20240815_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: 20240815 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 20240815T112204.1Z 8993.473658 75 1 49.76 2 76.86 82.97 156.64 293.35 0.00 1 0.00 1 0 33 1.485e+00 9.563e-02 1.461e-01 4.934e-03 5.294136e-01 2.749750e-03 1.699734e-02 -6.000000e+00 9.187449e-01 231.74 -2.00 3.51 -2.00 320.07 0.00e+00 9.715619e-02 1.065773e-03 1.378925e-02 -6.000000e+00 4.380982e-02 290.26 -2.00 20.00 -2.00 319.44 0.00e+00 4.285 0.001 302.00 328.00 3 3.2370e+00 8.5276e-03 5.1403e-02 -6.0000e+00 2.3038e+00 1.3415e+00 9.3578e-03 7.8121e-02 -6.0000e+00 2.5009e+00 -1.8707e+00 4.8235e-03 1.9531e-02 -6.0000e+00 1.4769e+00 8.5786e-01 2.9114e-03 5.2944e-02 -6.0000e+00 6.1454e-01 9.5580e-05 -3.1460e-03 1.3670e-04 1.1147e-03 -6.0000e+00 4.6007e-02 1.7400e-02 0.0000e+00 12 9 8 11 12 0 8.17 22.59 0.44 0.01740 -0.00624 14 3 1 5 0 3553.530 26.11 20.02 22.59 28.23 38.1 1071.67 417629 900000 395187 594549 900000 422426 900000 708962 262813 174043 178686 167217 350788 900000 326044 272252 -28660 900000 900000 336243 379242 395712 148943 192815 135330 900000 92563 83749 110957 181670 261216 203365 203590 216436 900000 147065 115988 164427 150389 51837 93330 41379 60509 74077 144034 91091 143999 126458 124975 95308 85509 61117 107995 83757 44590 47208 18347 17762 4596 13884 39990 32069 20911 44265 23887 47672 25011 23794 17999 9631 8483 6177 -10021 4083 -11417 -4707 5285 -9526 -5181 -5117 10549 -948 -2512 -11278 -11527 -16583 -13101 -15480 -8491 -7807 -9229 -7693 -11057 -15010 -11272 -11827 -6649 -2576 -261 2468 1421 2035 2210 -1269 -4302 -4789 -4334 -818 2715 1926 -1835 1430 98 -2265 -679 945 3700 3608 3905 3640 -18376 9593 10536 7168 7327 5432 7247 5259 4648 6419 6862 5478 4150 2121 -695 -364 -1900 -2618 -3743 -3075 -2708 -2295 -5095 15010 900000 18627 3508 900000 5836 900000 3406 4165 4727 4276 5744 3398 900000 8649 14562 -25674 900000 900000 10498 6677 4519 12001 6775 5776 900000 4669 5166 6662 7606 6945 11413 12231 10994 900000 11021 10615 9005 8832 7200 8562 6360 8538 10342 11848 13602 14255 15472 15842 16031 16019 14627 16590 15416 10648 9807 4434 4027 1180 3558 9275 9369 7784 14755 9920 15585 9514 8905 7304 4479 4119 3034 -5397 1803 -5299 -1893 1865 -4020 -2409 -2809 5764 -624 -1754 -8716 -9220 -14351 -11472 -14175 -7421 -6654 -7583 -5810 -8163 -11556 -9274 -11215 -6998 -2961 -318 2993 1662 2190 2210 -1288 -4636 -5451 -5168 -1012 3525 2730 -2860 2259 155 -3559 -1014 1359 5285 5375 6100 5923 -35135 14807 15735 10660 10547 7686 9894 7415 7053 10443 11857 9954 7824 4171 -1433 -770 -4125 -5742 -8287 -6656 -5651 -4562 -10003 SS 20240815T112832.6Z 8993.478155 78 1 50.20 2 75.64 84.00 157.70 295.50 0.00 1 0.00 1 0 25 3.803e-01 2.029e-02 1.356e-01 3.507e-03 5.830467e-01 1.932053e-03 6.686973e-03 -6.000000e+00 2.335079e-01 231.74 -2.00 3.51 -2.00 320.26 0.00e+00 5.178673e-03 7.198467e-04 3.063172e-04 -6.000000e+00 1.090470e-02 290.26 -2.00 20.00 -2.00 319.52 0.00e+00 3.945 0.001 302.00 328.00 3 3.4125e+00 5.9107e-03 5.0296e-02 -6.0000e+00 5.8372e-01 8.6056e-02 7.3731e-03 3.1443e-02 -6.0000e+00 6.3142e-01 -1.0690e-01 6.1880e-03 1.6346e-02 -6.0000e+00 3.7443e-01 4.6347e-02 3.1042e-03 7.9240e-03 -6.0000e+00 1.5650e-01 1.6826e-04 -2.1517e-04 1.0509e-04 7.9550e-05 -6.0000e+00 1.1729e-02 1.3199e-02 0.0000e+00 12 9 8 11 36 0 21.67 22.60 0.63 0.01320 0.01158 21 4 1 5 0 2389.770 26.11 20.00 22.60 28.47 38.0 1073.02 -111119 43635 -178201 13940 900000 -94465 900000 55002 -8059 -111170 -114938 -115183 -50548 900000 -23659 -54310 -96502 900000 214134 -25843 29462 63987 -53216 -588 -6911 900000 -7791 -32838 -13240 -6018 33022 1210 3872 12826 118671 -4063 -17785 31995 21647 -5360 10420 -10503 -5266 4925 30416 -4561 28349 13852 19190 2667 5948 -6525 22084 16038 5750 1207 5975 7503 -327 5285 9138 5410 -5605 7705 -4815 8851 -1435 3834 1972 -307 1671 2030 -2557 6161 -725 2617 -2185 -2381 -632 -5629 3055 -2953 -820 -2869 -1919 -2828 -2209 -2732 -585 -404 -1048 1396 997 137 301 -1053 -373 -809 -340 -756 -154 -325 2666 554 -715 -282 -1106 336 2116 -1013 -1460 58 -298 -167 -245 1532 1867 765 127 -1763 -536 1208 -5 -9 986 0 1866 672 -14 958 1422 978 487 478 -356 294 -323 -166 -1460 -551 -1022 636 -324 -2105 203 -7153 84 900000 -1586 900000 265 -78 -3058 -3566 -4231 -1259 900000 -686 -2412 -7054 900000 923 -1168 806 1279 -3383 -24 -321 900000 -373 -1977 -680 -321 1420 82 280 875 2925 -329 -1836 2464 2174 -789 1454 -1885 -939 820 4095 -863 4047 2332 3217 554 1315 -1768 4992 4085 1672 378 1819 2237 -103 1599 2796 1876 -2365 3124 -2230 3579 -627 1660 949 -167 954 1189 -1537 3285 -382 1236 -1026 -1146 -328 -3465 1972 -2199 -641 -2397 -1673 -2606 -2107 -2668 -560 -374 -932 1153 804 114 269 -1057 -413 -977 -432 -963 -187 -370 2833 601 -817 -336 -1378 434 2868 -1501 -2302 93 -483 -263 -371 2234 2721 1152 199 -2885 -874 1909 -8 -13 1446 -1 2597 962 -21 1565 2455 1760 906 922 -718 611 -684 -355 -3146 -1162 -2096 1244 -625 SS 20240815T113943.6Z 8993.485921 81 1 50.81 2 73.53 85.77 159.48 299.60 0.00 1 0.00 1 0 25 2.663e-01 1.104e-02 9.166e-02 2.118e-03 5.284668e-01 1.135186e-03 6.100006e-03 -6.000000e+00 1.605410e-01 231.74 -2.00 3.51 -2.00 319.61 0.00e+00 1.988833e-03 3.415511e-04 2.974410e-04 -6.000000e+00 7.333146e-03 290.26 -2.00 20.00 -2.00 318.82 0.00e+00 3.470 0.001 302.00 328.00 3 3.0502e+00 3.2799e-03 4.4664e-02 -6.0000e+00 4.0131e-01 6.5828e-02 3.9217e-03 2.7931e-02 -6.0000e+00 4.3301e-01 -4.5791e-02 3.0708e-03 1.3811e-02 -6.0000e+00 2.5849e-01 1.1640e-02 1.5880e-03 4.5301e-03 -6.0000e+00 1.0974e-01 4.0550e-04 3.1920e-05 6.2953e-05 5.0647e-05 -6.0000e+00 8.0113e-03 1.2761e-02 0.0000e+00 12 9 8 11 4 0 47.55 22.59 0.30 0.01276 0.01300 39 7 1 5 0 1302.180 26.11 20.02 22.59 28.87 37.9 1074.81 -89226 900000 -105036 -499 -26628 -59923 224770 -19690 -32201 -60169 -32829 -58513 -23936 55768 -9621 -34219 2837 41832 22442 -13145 -1438 14353 -25298 1424 -13106 44583 -11290 -15136 -22861 -87 4040 -489 -4615 -5199 24070 -7170 -3546 662 5060 -5080 1804 -5652 -2205 -751 7716 -1590 3926 3356 4123 542 1092 -1712 5680 5251 1926 3673 1088 3497 151 297 4527 1217 -1157 1959 -1324 3140 340 1256 1806 25 -5 742 -1974 1319 -681 1257 2466 899 -621 -1749 478 -2502 -1260 -2099 -741 -1950 -838 -1283 -390 -608 233 619 1239 1026 815 204 444 -228 -605 -566 -913 2 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