File name: Pandora55s1_QueensNY_20240205_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T130925.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 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_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240205_L1_smca1c18d20230426p1-8.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: 20240205 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 20240205T125415.3Z 8801.537677 168 1 50.44 2 81.80 119.41 68.75 179.86 0.00 1 0.00 1 0 25 8.175e-01 1.792e-02 1.946e-01 2.860e-03 1.012343e+00 1.670800e-03 1.103318e-02 -6.000000e+00 4.958283e-01 224.53 -2.00 3.51 -2.00 321.90 0.00e+00 9.159680e-03 9.266866e-04 7.603061e-03 -6.000000e+00 2.279651e-02 275.27 -2.00 20.00 -2.00 321.49 0.00e+00 6.582 0.005 302.00 328.00 3 5.7603e-02 6.0550e-03 9.8573e-02 -6.0000e+00 1.2352e+00 5.4581e-01 9.7204e-03 8.8982e-02 -6.0000e+00 1.3538e+00 -7.0220e-01 1.1033e-02 3.4983e-02 -6.0000e+00 7.9536e-01 2.8760e-01 4.9699e-03 1.4226e-02 -6.0000e+00 3.2614e-01 2.4906e-04 -1.6015e-03 7.5011e-05 1.5052e-04 -6.0000e+00 2.5553e-02 6.9888e-03 0.0000e+00 12 8 8 10 0 0 -7.97 22.62 0.22 0.00699 -0.00505 155 29 1 5 0 325.350 25.90 19.98 22.62 5.69 34.6 1013.22 -288335 -333555 900000 -345439 900000 -231254 -211191 900000 900000 -204545 -291857 -200961 -254650 -217995 900000 84861 -147108 900000 900000 900000 1434 13489 75884 -137670 20196 -105027 900000 -96409 -8281 -146488 64316 -2390 -36973 -40120 32527 900000 -34094 -9712 34540 108910 4188 69713 -10545 36887 23864 112989 2335 49010 45198 45261 19722 19988 13406 43291 51766 20856 41096 24207 26881 16996 14850 33177 12482 -7771 20400 7465 15981 7277 10650 9662 8970 10712 11259 1652 11485 2923 8281 4535 2520 -592 -1545 5293 383 1258 -1476 57 -2979 -1004 -2603 506 -596 -653 266 536 -84 -781 -1838 -1515 -1144 -1485 -844 -1053 398 1380 -278 -2373 -1649 -1946 -807 -120 -992 -1819 -908 -715 -1014 558 939 1260 291 -427 -578 78 1357 1314 883 390 1033 2052 1083 -224 855 740 1012 454 536 -378 -105 376 -725 -572 -235 -176 -90 -843 -2598 -5736 900000 -7501 900000 -1503 -1127 900000 900000 -1255 -4471 -1496 -4144 -3472 900000 236 -2510 900000 900000 900000 8 68 211 -3079 105 -1907 900000 -1649 -62 -4512 325 -30 -788 -997 422 900000 -830 -210 584 1082 129 1284 -439 1034 775 1635 99 1436 1493 1648 1019 1169 937 2536 3045 1717 2920 2019 2139 1430 1262 2510 1290 -1120 2584 1147 2342 1204 1851 1911 1997 2518 2684 415 2438 607 1505 842 522 -148 -470 1776 154 546 -698 28 -1570 -540 -1438 269 -308 -322 126 258 -44 -476 -1328 -1269 -1080 -1520 -868 -1027 349 1102 -221 -1991 -1448 -1806 -801 -131 -1238 -2541 -1351 -1097 -1556 831 1367 1847 443 -677 -928 121 2006 1871 1230 534 1376 2693 1515 -354 1513 1437 2105 1002 1248 -926 -265 962 -1873 -1469 -582 -415 -200 -1813 SS 20240205T131145.6Z 8801.549833 173 1 50.53 2 78.96 122.55 68.88 183.89 0.00 1 0.00 1 0 25 5.607e-01 8.133e-03 5.933e-02 1.090e-03 8.123545e-01 5.929447e-04 9.089030e-03 -6.000000e+00 3.283183e-01 224.53 -2.00 3.51 -2.00 320.98 0.00e+00 4.624177e-03 2.647208e-04 2.151281e-03 -6.000000e+00 1.444461e-02 275.27 -2.00 20.00 -2.00 320.52 0.00e+00 5.037 0.002 302.00 328.00 3 5.5374e-02 1.8596e-03 6.7101e-02 -6.0000e+00 8.1096e-01 1.4746e-01 2.6214e-03 4.7110e-02 -6.0000e+00 8.8196e-01 -1.1629e-01 2.9013e-03 2.3255e-02 -6.0000e+00 5.2521e-01 3.4886e-02 1.4002e-03 9.9882e-03 -6.0000e+00 2.2134e-01 1.3483e-03 -9.2152e-04 2.9159e-05 9.7079e-05 -6.0000e+00 1.6726e-02 7.2274e-03 0.0000e+00 11 8 0 10 0 0 10.10 22.62 0.23 0.00723 0.00030 373 71 1 5 0 135.440 25.90 19.98 22.62 6.62 34.6 1017.21 -181462 -244579 900000 -239939 -125170 -181909 -184760 -113373 -154920 -151730 -205311 -135281 -166795 -113474 -58495 -42356 -90595 -62466 -4324 -14773 -24656 -32519 -10985 -59921 -13927 -45857 29375 -38399 -30835 -51205 -23839 -13421 -13578 -11421 -11666 7975 -19472 -5437 -5304 863 -7394 2671 -3675 -871 169 5610 1218 1110 6581 4215 4628 3134 3830 5700 7174 2759 2891 1712 1134 911 1201 3869 1490 -213 2329 1571 2227 1796 2388 2185 1279 650 928 -764 702 -542 1274 196 844 -323 34 356 -1616 -1000 -1665 -1035 -1272 -754 -946 -190 228 614 847 1374 1006 529 365 407 -262 -555 -226 -440 288 827 -409 -1260 -917 -902 -477 -34 -264 -526 -342 -48 -92 684 942 889 590 -311 -663 -235 124 -168 89 -29 489 1465 942 122 328 169 357 126 202 -450 -242 138 -424 -546 -144 13 160 135 -849 -2459 900000 -2714 -479 -1090 -1316 -446 -1054 -1113 -2580 -1079 -2128 -1152 -504 -396 -1506 -906 -43 -178 -312 -456 -141 -1234 -199 -975 337 -798 -605 -1331 -560 -357 -441 -413 -440 246 -826 -230 -274 51 -510 187 -296 -72 14 460 109 104 628 449 547 427 586 877 1183 506 553 337 222 174 229 761 339 -57 679 488 694 575 817 787 527 292 426 -347 291 -206 468 71 322 -134 17 193 -1022 -690 -1235 -760 -988 -608 -778 -153 175 471 616 987 775 439 335 437 -304 -699 -284 -518 320 837 -416 -1361 -1044 -1028 -585 -44 -387 -819 -568 -78 -152 1074 1429 1357 938 -522 -1088 -396 198 -258 139 -43 706 2057 1399 196 573 315 717 259 441 -1012 -547 317 -991 -1267 -333 28 336 273 SS 20240205T131740.3Z 8801.553939 176 1 50.48 2 78.02 123.64 68.97 185.25 0.00 1 0.00 1 0 25 4.334e-01 7.190e-03 4.418e-02 8.720e-04 7.576710e-01 4.678565e-04 8.581354e-03 -6.000000e+00 2.537812e-01 224.53 -2.00 3.51 -2.00 320.70 0.00e+00 3.535049e-03 1.934252e-04 1.729876e-03 -6.000000e+00 1.103221e-02 275.27 -2.00 20.00 -2.00 320.22 0.00e+00 4.672 0.002 302.00 328.00 3 5.2325e-02 1.4275e-03 6.1807e-02 -6.0000e+00 6.2683e-01 1.1750e-01 1.9125e-03 4.2369e-02 -6.0000e+00 6.8173e-01 -8.3819e-02 2.0255e-03 2.0914e-02 -6.0000e+00 4.0571e-01 2.2239e-02 9.9852e-04 8.2014e-03 -6.0000e+00 1.7030e-01 2.0265e-03 -8.5269e-04 2.3640e-05 8.3244e-05 -6.0000e+00 1.2919e-02 7.2277e-03 0.0000e+00 11 8 0 10 0 0 14.03 22.61 0.20 0.00723 0.00082 464 88 1 5 0 108.770 26.00 19.99 22.61 6.65 34.6 1017.69 -184173 -171465 -53373 -177900 -134796 -150044 -129809 -110971 -67789 -144635 -125024 -114536 -100656 -98100 -33851 -50543 -51638 -49448 -8675 -2143 -27857 -12581 -28363 -32255 -24975 -25167 590 -23242 -19562 -31285 -12482 -11349 -4217 -12803 -2128 -36 -5900 -7649 -2147 -398 -3907 817 -3645 641 -2291 4654 -2117 3743 1915 3666 2674 2777 2531 3153 4168 1645 3025 184 1414 97 1564 2358 2386 693 1258 1050 1659 1858 1746 2231 874 587 56 -457 -342 -69 455 817 1065 -182 74 -144 -1287 -1413 -1451 -1333 -1173 -818 -535 -386 53 697 643 1432 933 810 451 590 -385 -410 -96 -392 292 725 -101 -1256 -585 -956 -126 -89 -126 -608 -309 -55 73 707 1016 832 355 -318 -713 -355 71 -183 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