File name: Pandora55s1_QueensNY_20240626_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240627T050635.5Z 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_20240626_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: 20240626 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 20240626T104251.1Z 8943.446425 208 1 10.24 2 77.79 69.62 60.19 209.85 0.00 1 0.00 1 0 25 5.732e-01 3.355e-02 2.547e-01 1.319e-02 6.575285e-01 7.683515e-03 7.461897e-03 -6.000000e+00 3.596210e-01 232.90 -2.00 3.51 -2.00 320.86 0.00e+00 -2.950676e-03 3.475072e-03 1.636768e-03 -6.000000e+00 1.747651e-02 287.85 -2.00 20.00 -2.00 320.22 0.00e+00 4.586 0.002 302.00 328.00 3 3.3683e+00 2.5319e-02 5.8871e-02 -6.0000e+00 9.1086e-01 1.0116e-01 3.3126e-02 3.8438e-02 -6.0000e+00 9.9015e-01 -2.7088e-01 2.8946e-02 1.7515e-02 -6.0000e+00 5.7969e-01 1.3727e-01 1.3834e-02 6.8504e-03 -6.0000e+00 2.4043e-01 9.3789e-05 -3.8294e-04 4.0776e-04 6.6333e-05 -6.0000e+00 1.8082e-02 1.2710e-02 0.0000e+00 12 9 9 12 37 1 999.00 22.60 0.98 0.01271 0.00983 2 3 1 5 0 3410.440 26.11 19.98 22.60 29.42 37.7 1100.00 -181380 900000 -218276 900000 900000 -148858 900000 900000 900000 -151292 52312 -190311 176574 900000 900000 -92854 900000 900000 900000 133182 -45865 900000 -113250 900000 -28028 297217 -56028 98644 -76254 -18793 900000 22594 36740 4854 55645 -47525 -30382 26165 125920 27234 89320 8492 11305 24468 76467 -4315 60409 17908 42111 36360 5316 -12399 38590 36520 21566 22624 15252 33018 2076 44 31949 -1545 19446 10266 9860 17475 -37 7408 3031 4259 4510 9305 -8465 18076 -3720 6864 9518 242 -712 -12527 8246 -2408 -2689 -5810 2115 -9321 148 -6280 -1974 -921 -3296 -815 815 733 652 -3669 -2551 -1663 -2181 -727 -1449 1665 2119 3479 -3201 -1678 -366 2035 3446 -628 -3230 1107 -728 -627 780 2040 3007 -1312 -133 -2312 2340 -773 3336 868 276 -659 163 596 -419 2627 2472 2186 516 172 -599 -1294 1018 1052 -2481 -479 -1148 173 -883 -4445 900000 -8294 900000 900000 -2737 900000 900000 900000 -4432 671 -10317 2264 900000 900000 -3951 900000 900000 900000 1708 -1650 900000 -8617 900000 -1127 3811 -3012 1265 -4845 -753 900000 820 1280 237 1637 -3882 -2395 1454 3255 2105 4225 914 1225 2355 4535 -554 4291 1963 3860 3809 824 -2508 5296 5507 3953 4315 3184 5810 476 10 5739 -413 4760 2974 2967 4859 -12 2357 1112 1732 1978 4031 -4239 6796 -1575 2434 3137 89 -293 -6576 4116 -1470 -1778 -4177 1506 -7695 118 -5380 -1627 -730 -2534 -583 564 525 513 -3345 -2581 -1836 -2565 -850 -1625 1698 2048 3346 -3396 -1846 -415 2399 4297 -876 -4926 1704 -1144 -963 1147 2891 4239 -1964 -205 -3724 3655 -1209 4938 1275 396 -927 224 835 -635 4240 4261 3958 979 340 -1244 -2796 2212 2303 -5558 -1037 -2412 345 -1735 SS 20240626T104901.5Z 8943.450712 211 1 50.57 2 76.69 70.53 60.75 211.41 0.00 1 0.00 1 0 25 3.868e-01 2.689e-02 1.430e-01 4.521e-03 6.121060e-01 2.557779e-03 7.000246e-03 -6.000000e+00 2.402699e-01 232.90 -2.00 3.51 -2.00 320.58 0.00e+00 3.865205e-03 1.041286e-03 1.334669e-03 -6.000000e+00 1.167058e-02 287.85 -2.00 20.00 -2.00 319.90 0.00e+00 4.234 0.001 302.00 328.00 3 3.5191e+00 8.0500e-03 5.3693e-02 -6.0000e+00 6.0463e-01 1.5337e-01 1.0266e-02 3.3032e-02 -6.0000e+00 6.5598e-01 -2.3117e-01 8.7623e-03 1.7554e-02 -6.0000e+00 3.8683e-01 9.9122e-02 4.2749e-03 6.3357e-03 -6.0000e+00 1.6108e-01 1.1186e-04 -6.2478e-04 1.3790e-04 8.1479e-05 -6.0000e+00 1.2048e-02 1.6429e-02 0.0000e+00 12 9 8 11 36 0 99.64 22.60 0.44 0.01643 0.01173 19 4 1 5 0 2661.080 26.11 20.02 22.60 29.54 37.6 1100.00 -186350 900000 900000 135383 900000 -99001 900000 40908 12302 -171445 -72604 -143609 -106786 900000 33716 -89928 79504 900000 900000 8363 32041 81612 -93701 33595 -28968 900000 -5464 -35417 -34685 3380 82458 6730 17089 -365 900000 -26178 -148 28469 53650 -6695 32834 2374 -2615 11388 46343 1653 36701 27853 28334 5932 4993 -10433 36966 649 17595 21874 11391 12974 5573 4619 20458 2992 -6695 11256 -6858 13589 -2021 5289 2921 1888 2904 6222 -4803 12301 -2031 1907 12089 -2685 -2662 -6710 5983 -2958 373 -5671 -951 -6066 -1679 -3812 -281 -1250 -3124 1323 -109 -117 475 -1974 -2003 -651 -1063 -193 -1750 50 3125 1099 -912 -884 -1372 -270 2019 565 -2251 -23 -367 -845 -274 1087 2145 499 -34 -1571 -457 2320 3017 341 1089 -436 1182 245 -32 1053 2004 -219 1529 614 -204 568 -114 -213 -1213 -984 -952 161 -900 -7272 900000 900000 596 900000 -1709 900000 225 96 -8053 -1461 -6620 -4325 900000 538 -5225 1031 900000 900000 252 783 1266 -7894 921 -1506 900000 -232 -1956 -1947 146 1984 382 966 -25 900000 -2283 -11 1984 3509 -875 3263 331 -397 1545 4624 253 4149 3521 3748 1033 959 -2538 6291 164 3990 4953 2876 3202 1446 1211 4868 914 -2473 3832 -2822 4592 -778 1984 1230 891 1460 3124 -2617 5485 -953 795 4397 -1141 -1248 -3739 3387 -1996 264 -4435 -754 -5282 -1469 -3468 -247 -1075 -2592 1001 -81 -90 396 -1871 -2122 -748 -1296 -235 -2052 54 3133 1125 -992 -1008 -1639 -337 2641 805 -3500 -36 -585 -1319 -410 1568 3072 747 -53 -2550 -737 3602 4541 510 1577 -620 1628 348 -49 1724 3470 -403 2871 1206 -420 1202 -248 -466 -2683 -2129 -1995 321 -1775 SS 20240626T110005.3Z 8943.458395 214 1 50.25 2 74.70 72.17 61.81 214.14 0.00 1 0.00 1 0 25 1.918e-01 8.534e-03 4.362e-02 1.758e-03 5.592522e-01 9.535477e-04 6.387176e-03 -6.000000e+00 1.169735e-01 232.90 -2.00 3.51 -2.00 319.90 0.00e+00 1.942041e-03 3.133821e-04 3.344423e-04 -6.000000e+00 5.230188e-03 287.85 -2.00 20.00 -2.00 319.16 0.00e+00 3.718 0.001 302.00 328.00 3 2.4262e+00 2.8095e-03 4.7860e-02 -6.0000e+00 2.9378e-01 2.5723e-02 3.4122e-03 3.0062e-02 -6.0000e+00 3.1709e-01 -2.9461e-02 2.8463e-03 1.4717e-02 -6.0000e+00 1.8794e-01 4.7633e-03 1.4560e-03 5.0816e-03 -6.0000e+00 7.9049e-02 5.8897e-04 2.4700e-05 5.2206e-05 5.3383e-05 -6.0000e+00 5.8675e-03 1.2960e-02 0.0000e+00 11 9 0 11 12 0 46.73 22.60 0.23 0.01296 0.01315 67 13 1 5 0 749.820 26.21 19.98 22.60 29.90 37.5 1100.00 -79314 900000 -90126 -30479 52515 -76092 900000 -33137 -30727 -74096 -37380 -50341 -53070 54935 -18190 -22970 -30667 49856 18347 -14718 -6738 2654 -24360 -4768 -8871 36755 -5666 -14174 -12379 -8671 8080 -1715 -1041 -2363 17481 -3968 -6860 1807 3391 -4129 -454 -4688 -3335 -596 4862 -2110 2084 2928 5038 1635 600 -2116 4607 2959 1924 2520 1332 1562 271 950 3519 1699 -1239 1789 -1220 3169 -570 1774 1271 714 211 163 -1473 807 -224 622 2004 159 -128 -1736 750 -1751 -1041 -1697 -1036 -1571 -1050 -729 -311 167 71 791 1427 1336 960 485 470 -341 -564 -412 -609 90 1008 73 -1110 -538 -911 -120 489 -34 -649 12 -119 -74 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