File name: Pandora55s1_QueensNY_20210615_L2Fit_fout2c11d20210101p1-8.txt File generation date: 20260625T191011.2Z 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_20210615_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: 20210615 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 20210615T110512.9Z 7836.461955 94 1 50.36 2 73.34 73.28 114.48 32.04 0.00 1 0.00 1 0 25 8.913e-02 6.346e-03 1.783e-02 9.044e-04 5.272143e-01 4.826197e-04 6.102199e-03 -6.000000e+00 5.384814e-02 232.91 -2.00 3.51 -2.00 319.60 0.00e+00 1.246885e-03 1.423230e-04 5.530177e-04 -6.000000e+00 2.378722e-03 286.72 -2.00 20.00 -2.00 318.86 0.00e+00 3.432 0.001 302.00 328.00 3 1.5190e+00 1.3896e-03 4.4629e-02 -6.0000e+00 1.3517e-01 1.5624e-02 1.6509e-03 2.8480e-02 -6.0000e+00 1.4582e-01 -2.1464e-02 1.3170e-03 1.3667e-02 -6.0000e+00 8.6792e-02 1.0092e-03 6.8081e-04 4.1710e-03 -6.0000e+00 3.6207e-02 1.9871e-03 -7.8536e-04 2.6818e-05 4.6234e-05 -6.0000e+00 2.6640e-03 3.2001e-03 2.8983e-05 10 0 0 10 0 0 99.95 22.81 0.17 0.00320 -0.00270 262 50 1 5 0 192.160 25.68 20.00 22.81 26.77 29.3 1097.37 -24285 -10421 20226 -48945 -16175 -32841 -42167 -1725 -20357 -12350 -32607 -20628 -27725 -30297 2433 -3664 -10207 -5626 5720 813 -336 -3091 2361 -6299 -2403 -4072 4728 -6558 -3534 -6327 345 1729 -785 -6299 -1050 2310 -2537 -732 965 93 -2313 -674 -2461 -1603 -569 935 -272 653 706 1318 1176 482 487 1605 1533 460 1102 117 348 512 1098 2214 1678 979 19 239 850 1213 1812 932 28 -314 -554 -673 -583 -242 484 978 1355 192 -245 -449 -1404 -1177 -1284 -1220 -949 -458 -591 -271 95 720 737 1570 1540 1273 794 675 -374 -746 -481 -476 154 857 -96 -1031 -608 -727 -225 -102 -154 -433 -282 -30 41 677 923 869 501 -218 -844 -439 -227 -238 -21 65 419 1311 861 254 383 21 346 271 289 -232 -147 97 -460 -468 -282 -105 -57 240 -306 -135 223 -1029 -233 -537 -787 -24 -392 -241 -830 -505 -808 -1116 79 -151 -510 -281 290 44 -19 -186 138 -427 -170 -315 345 -530 -271 -505 28 160 -82 -760 -122 256 -307 -99 156 17 -512 -155 -610 -409 -146 240 -72 173 191 368 351 153 170 601 613 188 464 51 149 216 461 967 811 509 11 132 470 655 1010 561 19 -225 -397 -476 -403 -159 286 561 786 120 -172 -350 -1196 -1049 -1220 -1198 -960 -484 -640 -290 97 707 694 1403 1408 1243 858 784 -476 -988 -633 -603 182 977 -112 -1258 -762 -961 -306 -146 -229 -683 -461 -48 65 1028 1374 1294 760 -344 -1363 -710 -367 -372 -32 98 604 1865 1228 388 628 36 603 493 542 -446 -290 196 -954 -969 -567 -206 -109 452 SS 20210615T111508.7Z 7836.468851 101 1 50.09 2 71.53 74.74 113.51 34.27 0.00 1 0.00 1 0 25 6.234e-01 3.941e-02 2.039e-01 8.720e-03 4.540518e-01 4.829534e-03 5.367569e-03 -6.000000e+00 3.848299e-01 232.91 -2.00 3.51 -2.00 320.03 0.00e+00 7.524015e-03 1.531818e-03 8.619920e-04 -6.000000e+00 1.835865e-02 286.72 -2.00 20.00 -2.00 319.28 0.00e+00 3.116 0.001 302.00 328.00 3 5.3743e+00 1.4166e-02 3.9495e-02 -6.0000e+00 9.6726e-01 1.3659e-01 1.6988e-02 2.4496e-02 -6.0000e+00 1.0498e+00 -2.1560e-01 1.2658e-02 1.4108e-02 -6.0000e+00 6.1827e-01 1.0541e-01 6.3339e-03 8.6554e-03 -6.0000e+00 2.5841e-01 5.9422e-05 -3.4646e-03 2.8192e-04 9.4831e-05 -6.0000e+00 1.9351e-02 9.5610e-03 -2.8723e-04 12 8 8 10 0 0 99.98 22.81 0.88 0.00956 -0.01647 51 10 1 5 0 981.940 25.68 20.00 22.81 27.30 29.3 1099.82 900000 900000 900000 -96258 401865 900000 -66513 900000 108094 214907 -77568 267568 -82213 -127018 900000 70450 -11487 26753 900000 166814 287500 5919 104328 -11355 63944 6407 900000 -26108 11928 -24934 24950 86157 11762 -33045 30566 900000 -807 11075 60314 75998 826 32538 -12597 -822 15913 53453 1232 32819 28173 20464 1648 5676 -5203 25816 31440 10861 23443 14115 13097 5260 4478 20762 1340 -4277 4885 -10688 4733 -7023 14489 -1657 -3956 -2730 8404 -5369 12892 -1952 5261 3061 -2819 -1889 -5316 8906 -3803 2005 -7528 -3236 -5219 -2922 -5383 1340 -3192 -1351 -2412 -3674 -942 -427 -3332 -2305 202 -3930 -151 -429 -137 4421 1994 167 -218 870 -714 4223 2139 -2833 -567 655 -1146 -660 -260 4209 1342 973 -3527 -1518 3961 5615 787 494 -969 1296 -281 -2204 135 3179 2162 3173 459 -205 120 362 -330 -1187 -2149 -1590 357 -1224 900000 900000 900000 -6898 3412 900000 -3148 900000 1163 1825 -4867 2272 -6402 -17793 900000 2286 -863 1524 900000 2929 2441 461 3313 -1044 3085 533 900000 -2888 915 -2697 1844 4128 1239 -5568 2913 900000 -101 1374 5568 7029 168 5347 -3275 -198 3361 8164 305 6125 5535 4416 442 1572 -1714 6817 8268 3548 6991 4590 4265 1820 1577 6606 555 -2043 2284 -5813 2145 -3441 5963 -859 -2319 -1697 4847 -3456 6721 -1082 2498 1399 -1368 -988 -3254 5386 -2835 1519 -6551 -2874 -4977 -2863 -5519 1290 -3094 -1215 -2035 -3004 -757 -369 -3293 -2526 238 -5079 -188 -508 -150 4433 2083 187 -258 1066 -934 5634 3124 -4595 -929 1048 -1787 -970 -366 5712 1931 1479 -5797 -2485 6089 8296 1171 710 -1363 1732 -388 -3282 214 5206 3719 5583 858 -403 246 758 -706 -2561 -4587 -3258 692 -2347 SS 20210615T114853.0Z 7836.492280 117 1 52.03 2 65.30 79.69 109.82 41.49 0.00 1 0.00 1 0 17 1.575e-01 1.930e-02 2.705e-02 3.334e-03 3.664845e-01 1.768262e-03 4.284708e-03 -6.000000e+00 9.515554e-02 232.91 -2.00 3.51 -2.00 318.40 0.00e+00 1.602176e-03 3.499829e-04 1.180909e-04 -6.000000e+00 4.254980e-03 286.72 -2.00 20.00 -2.00 317.59 0.00e+00 2.377 0.000 302.00 328.00 3 5.1732e+00 4.8142e-03 3.0808e-02 -6.0000e+00 2.3886e-01 6.2940e-02 5.4694e-03 1.9404e-02 -6.0000e+00 2.5768e-01 -4.1324e-02 3.5569e-03 9.4099e-03 -6.0000e+00 1.5346e-01 1.9224e-02 1.8143e-03 2.9383e-03 -6.0000e+00 6.4226e-02 1.6865e-04 -1.0585e-03 1.0315e-04 3.2932e-05 -6.0000e+00 4.7116e-03 3.6490e-03 1.2760e-05 12 9 8 11 40 0 99.97 22.81 0.30 0.00365 -0.00430 14 3 1 5 0 3715.720 25.68 20.00 22.81 27.35 29.3 1100.00 32635 35216 900000 -31836 27086 90358 21187 98519 8891 -5796 -21252 7304 -1162 -51994 4838 1669 8819 -42830 38860 17384 29714 -4862 15134 -7847 4378 -7308 37453 -12621 -5182 -5656 1302 7558 -2512 -13931 3402 21109 -5264 -2853 6491 7199 -4129 5228 -6886 -2251 -1167 8403 -2589 7899 4185 3560 -2022 -1121 -2228 5650 7171 467 6187 1462 4202 808 656 4710 35 2313 129 -3187 415 -2338 4718 -111 -1471 -1068 2370 -1930 -196 -1200 172 892 -797 -693 -2160 1241 -1292 -842 -1754 -1479 -2255 -1055 -1530 -66 -1252 -297 -282 -524 918 836 -436 -168 713 -1692 -77 -640 777 1574 851 -322 -540 208 -78 1436 764 -1324 -119 168 -260 92 362 1657 698 -168 -2085 -792 1606 1715 -162 331 779 1263 -272 -455 534 -41 1200 1311 116 -123 251 473 -408 -814 -926 -767 74 -601 1144 1364 900000 -2402 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