File name: Pandora55s1_QueensNY_20230726_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230728T224604.5Z 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 v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230726_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: 20230726 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 --------------------------------------------------------------------------------------- SU 20230726T120547.0Z 8607.504016 435 1 50.58 2 65.56 84.80 152.60 30.27 0.00 1 0.00 1 0 17 3.412e-01 6.087e-02 1.796e-02 2.571e-03 3.344172e-01 1.353888e-03 3.958133e-03 -6.000000e+00 2.062944e-01 232.51 -2.00 3.51 -2.00 317.96 0.00e+00 2.171771e-02 2.389480e-04 3.459058e-04 -6.000000e+00 9.256656e-03 289.84 -2.00 20.00 -2.00 317.13 0.00e+00 2.400 0.000 302.00 328.00 3 4.6236e+00 3.6416e-03 3.1221e-02 -6.0000e+00 5.1676e-01 2.1429e-01 4.0836e-03 2.8642e-02 -6.0000e+00 5.5726e-01 -2.8388e-01 2.4428e-03 1.2730e-02 -6.0000e+00 3.3215e-01 1.4477e-01 1.2396e-03 1.6500e-02 -6.0000e+00 1.4016e-01 2.7779e-04 -3.6988e-04 7.7245e-05 1.5802e-04 -6.0000e+00 1.0265e-02 1.1266e-02 0.0000e+00 12 9 8 11 12 0 -47.53 22.61 0.45 0.01127 0.00849 13 2 1 5 0 3890.280 26.00 20.01 22.61 33.93 36.8 1100.00 67630 232041 68039 100430 103205 72934 129181 57658 33410 10524 14483 23438 1662 67790 50876 42428 -98332 81836 63561 63612 51349 44294 18827 17407 7695 28752 5079 10632 14342 22489 31969 27839 19117 24430 36471 16393 12025 15244 10718 -510 1502 -4919 1406 4862 11588 7793 16145 14360 16940 11644 9320 7161 11844 7257 1997 1708 -3836 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2368 1639 -611 1478 621 -1 302 1274 2414 2556 2370 434 1794 3841 3702 2285 1579 848 2576 1667 1294 3285 2568 2637 1711 1083 116 -55 -946 -2179 -3491 -2880 -3293 -2853 -3313 SU 20230726T120830.2Z 8607.505906 438 1 52.30 2 65.05 85.22 152.36 31.52 0.00 1 0.00 1 0 17 7.135e-02 1.293e-02 1.208e-02 2.430e-03 3.405211e-01 1.286660e-03 3.980711e-03 -6.000000e+00 4.315566e-02 232.51 -2.00 3.51 -2.00 317.97 0.00e+00 -9.436834e-04 2.280743e-04 1.103573e-04 -6.000000e+00 1.935920e-03 289.84 -2.00 20.00 -2.00 317.10 0.00e+00 2.355 0.000 302.00 328.00 3 4.7007e+00 3.4730e-03 2.9686e-02 -6.0000e+00 1.0810e-01 1.1924e-02 3.9294e-03 1.7849e-02 -6.0000e+00 1.1656e-01 7.1168e-04 2.4656e-03 8.6381e-03 -6.0000e+00 6.9477e-02 -8.4175e-04 1.2420e-03 2.4031e-03 -6.0000e+00 2.9331e-02 2.9719e-04 3.5666e-04 7.5343e-05 2.8187e-05 -6.0000e+00 2.1467e-03 8.7682e-03 0.0000e+00 12 9 8 11 36 0 50.84 22.61 0.45 0.00877 0.01145 14 3 1 5 0 3735.170 26.00 19.97 22.61 33.94 36.8 1100.00 7465 -1291 -29825 1530 13475 -9503 38116 4012 -1543 12220 -10155 -15716 -38385 23410 -2333 -11339 19928 16662 9393 12834 2865 4420 5991 -136 -1880 641 -2670 -4035 1300 -3685 4603 -1970 -10405 -2036 10060 -5246 -6093 2495 3000 -3217 1957 -5230 -1897 -1239 2705 -3575 2740 -2463 2338 -416 1400 -1472 4479 2714 1176 4239 1597 2852 1140 1245 2774 1108 780 1024 -793 -557 -1865 777 1130 -1416 102 937 -1678 1660 -928 519 2138 -67 -2468 -2017 666 -1389 -1354 -2049 -554 -1561 -374 -1138 -71 -281 -382 851 1215 870 1439 232 691 -171 -515 -552 -1118 -129 1117 467 -511 -390 -776 220 188 610 -855 227 120 -314 -11 378 1261 348 -211 -1085 -364 678 801 179 63 -351 599 464 107 647 404 849 408 567 -250 405 77 -198 -943 -566 -162 -406 -185 448 -88 -2638 95 705 -631 1796 292 -128 925 -975 -1733 -5946 2361 -335 -1909 2663 2402 1511 2065 512 792 1103 -28 -418 142 -598 -875 262 -794 993 -491 -2951 -539 2339 -1428 -1851 820 1134 -1426 893 -2621 -944 -617 1312 -1812 1311 -1217 1119 -209 733 -835 2552 1637 736 2665 1034 1822 730 800 1813 777 582 793 -621 -417 -1362 560 864 -1193 90 842 -1532 1434 -776 401 1538 -49 -1900 -1685 593 -1343 -1373 -2173 -608 -1799 -444 -1379 -85 -330 -428 894 1219 870 1497 261 831 -221 -689 -736 -1439 -157 1310 559 -641 -509 -1044 305 269 910 -1333 356 186 -469 -16 522 1723 489 -310 -1654 -562 1031 1198 263 89 -487 807 628 150 953 618 1323 649 925 -423 703 136 -356 -1711 -1014 -284 -693 -311 SU 20230726T121117.6Z 8607.507843 441 1 50.39 2 64.52 85.66 152.10 32.78 0.00 1 0.00 1 0 17 6.769e-02 1.180e-02 1.172e-02 2.391e-03 3.351988e-01 1.266738e-03 3.944856e-03 -6.000000e+00 4.094135e-02 232.51 -2.00 3.51 -2.00 317.90 0.00e+00 -4.191648e-04 2.197623e-04 2.466208e-04 -6.000000e+00 1.836512e-03 289.84 -2.00 20.00 -2.00 317.04 0.00e+00 2.310 0.000 302.00 328.00 3 4.6902e+00 3.4146e-03 2.9189e-02 -6.0000e+00 1.0256e-01 8.5129e-03 3.8564e-03 1.7628e-02 -6.0000e+00 1.1058e-01 7.7837e-03 2.4043e-03 8.5056e-03 -6.0000e+00 6.5911e-02 -4.2072e-03 1.2095e-03 2.3049e-03 -6.0000e+00 2.7827e-02 3.1520e-04 3.0004e-04 7.4111e-05 2.7670e-05 -6.0000e+00 2.0365e-03 8.3827e-03 0.0000e+00 12 9 8 11 44 0 -63.02 22.61 0.17 0.00838 0.01064 14 3 1 5 0 3598.710 26.00 20.03 22.61 33.84 36.8 1100.00 -20527 2818 -26762 6738 23108 -2306 47692 13556 953 -7225 -5334 -12899 -392 20862 26 -11019 -8672 18634 8316 13509 -1505 5876 -9801 -556 -1810 -1767 -1228 -2048 -2852 67 4730 -872 -6590 -1254 9996 -4204 -2637 1614 2488 -3642 1277 -3975 -1989 -1186 2904 -2412 2852 303 2409 -906 -1306 -1526 3900 3096 1039 4173 -1122 2090 1332 719 2798 1192 534 602 -2487 1242 -1743 1041 1402 -1687 394 281 -1122 1495 -907 984 3036 -260 -2391 -1700 980 -1575 -917 -2645 -726 -1789 -459 -774 -626 314 -52 784 1513 701 1158 283 975 -220 -300 -544 -873 -387 1268 893 -85 -244 -537 207 142 430 -996 272 -119 -306 384 565 1127 582 61 -1449 -426 775 -871 27 -53 -72 1115 379 -261 1068 307 643 -14 733 -311 574 164 -94 -809 -424 -538 -155 -50 -1657 194 -2392 414 1156 -149 2130 934 80 -677 -506 -1429 -44 2229 4 -1906 -1546 2726 1395 2227 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