File name: Pandora55s1_QueensNY_20240802_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240803T051043.8Z 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_20240802_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: 20240802 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 20240802T110047.2Z 8980.458880 134 1 51.20 2 78.79 76.39 56.11 81.90 0.00 1 0.00 1 0 25 4.821e-01 2.515e-02 1.509e-01 4.503e-03 6.497482e-01 2.582304e-03 7.720598e-03 -6.000000e+00 3.026124e-01 232.23 -2.00 3.51 -2.00 320.96 0.00e+00 8.228238e-03 1.198546e-03 2.888801e-03 -6.000000e+00 1.431238e-02 290.02 -2.00 20.00 -2.00 320.30 0.00e+00 4.962 0.002 302.00 328.00 3 2.7521e+00 8.6786e-03 6.1092e-02 -6.0000e+00 7.6326e-01 1.8405e-01 1.1403e-02 3.6157e-02 -6.0000e+00 8.3019e-01 -2.8751e-01 9.9659e-03 2.1676e-02 -6.0000e+00 4.8720e-01 1.1806e-01 4.7712e-03 9.4972e-03 -6.0000e+00 2.0062e-01 1.1744e-04 -5.9556e-04 1.3693e-04 1.3993e-04 -6.0000e+00 1.5132e-02 1.5141e-02 0.0000e+00 12 9 8 11 4 0 44.92 22.78 0.45 0.01514 0.01067 30 6 1 5 0 1706.140 26.11 20.00 22.78 33.48 38.3 1100.00 -158717 900000 -221832 165871 900000 -105014 900000 900000 -63398 -174747 -142053 -153089 -60191 900000 -34033 -85047 900000 900000 900000 -36705 15464 201727 -102665 7034 -29649 900000 -15835 -61333 -66165 7402 54207 4386 -2251 5494 900000 -24220 -19227 42785 64085 -8937 27959 -10291 8303 12974 74126 -4234 44329 25975 38673 7135 12103 -9151 43605 31789 10415 25910 14572 23399 5017 7985 21617 8173 -6034 15000 -7842 19196 -2442 3916 6876 1463 5941 7057 -3217 11587 -76 5383 11724 -3076 -3751 -7253 6184 -3751 -1188 -3705 -1299 -4897 -3372 -4219 -567 -445 -2521 1423 490 -125 -917 -2685 -1419 -732 -1190 -737 -1020 263 2526 438 -785 -1507 -1991 -585 2287 1056 -1941 -248 -747 -1198 162 1301 2473 731 133 -1527 78 1791 3070 76 393 -507 1027 458 -372 1148 1207 1128 956 964 -436 -75 -65 -523 -1376 -638 -609 75 -247 -3184 900000 -9011 727 900000 -1263 900000 900000 -639 -5355 -3480 -5009 -1041 900000 -713 -3333 900000 900000 900000 -1215 316 884 -6638 171 -1060 900000 -506 -3014 -3541 224 1255 191 -115 268 900000 -1568 -1324 1951 2826 -889 2157 -1205 854 1312 4354 -529 3635 2623 3673 975 1744 -1762 5602 4858 2025 4516 2846 4183 1043 1628 4104 1942 -1827 4093 -2731 5161 -799 1260 2384 592 2491 3008 -1479 4427 -30 1853 3644 -1132 -1547 -3575 3090 -2277 -760 -2566 -930 -3813 -2699 -3480 -452 -344 -1889 975 331 -88 -714 -2390 -1410 -800 -1386 -860 -1139 269 2409 427 -808 -1640 -2280 -702 2883 1460 -2944 -387 -1181 -1854 239 1860 3520 1089 208 -2477 126 2782 4597 114 571 -722 1415 651 -573 1913 2150 2112 1862 1958 -933 -167 -146 -1196 -3173 -1436 -1324 155 -503 SS 20240802T110715.4Z 8980.463372 137 1 50.74 2 77.60 77.39 54.94 82.82 0.00 1 0.00 1 0 25 4.405e-01 1.463e-02 1.242e-01 3.124e-03 6.038469e-01 1.737191e-03 6.893092e-03 -6.000000e+00 2.708707e-01 232.23 -2.00 3.51 -2.00 320.60 0.00e+00 5.416005e-03 7.231258e-04 3.157990e-04 -6.000000e+00 1.261636e-02 290.02 -2.00 20.00 -2.00 319.89 0.00e+00 4.520 0.002 302.00 328.00 3 2.6073e+00 5.5514e-03 5.5671e-02 -6.0000e+00 6.7801e-01 5.2324e-02 7.1343e-03 3.3039e-02 -6.0000e+00 7.3327e-01 -9.4102e-02 6.3227e-03 1.7263e-02 -6.0000e+00 4.3456e-01 3.3043e-02 3.1122e-03 8.6165e-03 -6.0000e+00 1.8133e-01 2.2183e-04 -4.2787e-04 9.4141e-05 8.6250e-05 -6.0000e+00 1.3588e-02 1.5490e-02 0.0000e+00 12 9 8 11 4 0 61.35 22.78 0.40 0.01549 0.01228 45 9 1 5 0 1127.260 26.21 20.01 22.78 34.01 38.3 1100.00 -160894 -101992 -175429 -88888 900000 -153678 900000 187 -43843 -144022 -101866 -104445 -64179 900000 -14483 -61314 260792 900000 120837 -25728 9178 21563 -61679 -6646 -23780 900000 2192 -42711 -31798 -14292 34866 -16806 -3822 -645 86741 -13315 -13816 19585 16716 -8556 7935 -11798 -2005 48 21532 -7710 10082 10572 13387 1062 2980 -6985 16116 12622 5356 9435 4081 6437 928 -641 7582 3443 -4024 4317 -4470 8157 -1296 1304 2577 1085 2303 1943 -2351 4329 -1252 821 6253 -788 -424 -4191 3264 -1873 -249 -2823 -470 -2693 -1103 -2217 -353 -73 -790 1022 1211 1184 606 -1479 94 -558 -330 -348 -693 -165 1975 128 -1095 -1223 -1291 -392 931 92 -1392 214 -85 -348 325 747 1459 255 -581 -1335 105 570 1070 -145 762 -347 1281 908 118 978 828 765 517 374 -446 -38 24 -459 -879 -438 -320 -25 11 -3148 -1264 -4450 -951 900000 -3013 900000 1 -403 -3650 -1896 -2378 -1265 900000 -273 -2061 794 900000 942 -843 222 472 -3103 -215 -952 900000 71 -2103 -1463 -624 1133 -1031 -229 -39 2270 -916 -1074 1330 1387 -1027 897 -1703 -277 7 2520 -1207 1380 1487 1935 185 559 -1580 3195 2767 1312 2309 1063 1639 245 -173 1996 1038 -1437 1553 -1792 2884 -495 506 1087 515 1165 1016 -1258 2081 -588 350 2432 -334 -198 -2321 1916 -1269 -179 -2184 -377 -2309 -972 -2013 -314 -63 -655 792 913 917 514 -1419 99 -649 -405 -427 -818 -181 2028 135 -1213 -1424 -1567 -498 1247 133 -2169 342 -136 -547 490 1091 2127 386 -921 -2188 171 909 1661 -221 1125 -503 1800 1308 183 1632 1470 1418 992 745 -930 -81 53 -1023 -1967 -962 -680 -52 23 SS 20240802T111247.3Z 8980.467214 140 1 50.24 2 76.57 78.24 53.93 83.61 0.00 1 0.00 1 0 25 3.271e-01 1.202e-02 6.979e-02 2.403e-03 5.677515e-01 1.314277e-03 6.502271e-03 -6.000000e+00 2.000720e-01 232.23 -2.00 3.51 -2.00 320.27 0.00e+00 3.613775e-03 4.896081e-04 2.881614e-04 -6.000000e+00 9.021425e-03 290.02 -2.00 20.00 -2.00 319.53 0.00e+00 4.199 0.001 302.00 328.00 3 2.4948e+00 4.0323e-03 5.1860e-02 -6.0000e+00 5.0200e-01 3.3883e-02 5.0380e-03 3.0730e-02 -6.0000e+00 5.4261e-01 -7.2789e-02 4.2958e-03 1.5392e-02 -6.0000e+00 3.2212e-01 2.4726e-02 2.1564e-03 6.4377e-03 -6.0000e+00 1.3526e-01 3.5213e-04 -3.3870e-04 7.2202e-05 6.5531e-05 -6.0000e+00 1.0013e-02 1.5329e-02 0.0000e+00 12 9 8 11 4 0 44.12 22.78 0.26 0.01533 0.01278 59 11 1 5 0 851.420 26.21 20.01 22.78 34.51 38.3 1100.00 -137638 900000 -139722 -37559 9228 -106277 900000 -59557 -13139 -116924 -51965 -90448 -40867 103457 3210 -40509 900000 159797 21959 -13847 -8307 24819 -41810 13131 -22698 120762 -16976 -14915 -31312 -8516 14234 -9384 -1800 -4011 44239 -9691 -5546 3902 9040 -5905 3941 -6925 -4660 2333 11084 -2236 4561 7859 5133 3323 645 -3313 9559 6520 4255 3623 2686 2308 1733 525 6024 623 -2054 3300 -1557 5400 -293 2002 1274 1138 673 1769 -1745 2097 -1835 1010 3137 518 -1592 -2637 1178 -2561 -764 -2866 -765 -2165 -953 -1577 -294 -326 -70 1449 1134 1843 792 192 32 -459 -715 -568 -592 95 1450 -220 -1048 -647 -1178 42 900 -35 -738 41 -197 -263 411 1016 1040 477 -273 -954 -716 293 521 200 394 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