File name: Pandora64s1_NewHavenCT_20231003_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231005T012047.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231003_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20231003 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20231003T113131.4Z 8676.480224 254 1 48.51 2 83.16 101.42 46.15 264.16 0.00 1 0.00 1 0 25 7.097e-01 4.687e-02 1.987e-01 1.063e-02 7.469496e-01 6.056836e-03 1.322053e-02 -6.000000e+00 4.279431e-01 227.25 -2.00 3.52 -2.00 321.59 0.00e+00 6.052887e-02 2.687385e-03 8.303341e-03 -6.000000e+00 1.914036e-02 285.50 -2.00 20.00 -2.00 321.05 0.00e+00 7.673 0.008 302.00 328.00 3 1.1356e+00 2.0819e-02 8.6038e-02 -6.0000e+00 1.0605e+00 1.5454e+00 2.3506e-02 6.1060e-02 -6.0000e+00 1.1468e+00 -1.8539e+00 1.3267e-02 2.3980e-02 -6.0000e+00 6.8460e-01 7.5416e-01 7.3144e-03 3.8924e-02 -6.0000e+00 2.9181e-01 2.7495e-05 -4.4108e-03 2.9441e-04 8.8561e-04 -6.0000e+00 2.1105e-02 2.2390e-03 -5.6875e-05 12 8 8 10 0 0 42.65 21.24 0.30 0.00224 -0.03091 31 7 1 5 0 1564.610 25.79 20.00 21.24 20.23 38.0 995.90 153448 149874 227726 245865 -74611 109884 102761 11303 60799 30674 -50117 50864 62385 98722 130629 140355 115388 269351 117776 231647 129770 262164 213224 124125 42573 18463 -16150 13041 8831 -39593 64072 128936 110529 116184 92033 68597 60434 59169 68696 43319 48748 51666 39131 -1350 41587 56905 61815 57942 68258 15935 79030 72427 65738 27511 50056 18064 12956 3779 29043 11369 17710 16149 33373 38340 58178 15891 28368 30640 20025 13827 15566 12855 6616 488 -179 -13209 21186 -9104 -3659 5275 2270 -5341 -1554 -4932 -5004 -6911 -4674 -4054 542 -1491 -6965 -6139 -16710 -13505 -9855 -4418 -5187 -1948 2093 1848 568 -945 -8811 -6003 -6397 -6392 -5881 1915 -3680 -174 277 -492 -1300 -162 -2155 -2239 733 1675 1781 3979 2733 5167 3298 5633 5193 3456 -1057 2587 1562 1910 1300 428 -125 -119 -272 -279 -1287 -516 914 -556 -1525 -2909 6893 7639 5795 4403 -21360 4349 3099 576 1604 896 -3023 1390 2293 3722 4801 5688 6634 3554 6993 4148 5626 2718 2874 2808 1725 835 -989 627 516 -4412 3683 4618 5313 5146 4510 3944 3702 3680 3949 3266 3492 3701 3430 -190 4076 5149 5651 5843 6433 2423 7448 7645 7558 4254 6321 2911 2051 616 3613 1779 2888 2832 6196 6989 9815 3652 5759 6141 4827 3894 4438 3720 1909 136 -45 -3446 4233 -2454 -1122 1791 916 -2607 -776 -2646 -2836 -4167 -2863 -2508 319 -855 -3935 -3267 -9759 -8284 -6837 -3210 -4488 -1889 2091 1819 526 -794 -7385 -4993 -5704 -5979 -5937 1964 -4505 -234 410 -767 -2041 -244 -3199 -3295 1091 2611 2939 6540 4427 7820 4935 7928 7127 4732 -1507 3922 2763 3524 2659 942 -293 -297 -720 -713 -3354 -1350 2480 -1447 -3767 -6863 SS 20231003T114202.0Z 8676.487523 257 1 48.57 2 81.24 103.22 48.05 266.01 0.00 1 0.00 1 0 25 3.625e-01 2.336e-02 1.087e-01 3.376e-03 6.571862e-01 1.896387e-03 8.769849e-03 -6.000000e+00 2.185263e-01 227.25 -2.00 3.52 -2.00 321.23 0.00e+00 1.814977e-02 9.240780e-04 5.804062e-03 -6.000000e+00 9.774705e-03 285.50 -2.00 20.00 -2.00 320.65 0.00e+00 6.199 0.004 302.00 328.00 3 1.2449e+00 6.5224e-03 7.3057e-02 -6.0000e+00 5.4155e-01 3.6178e-01 8.3436e-03 3.8891e-02 -6.0000e+00 5.8564e-01 -5.0503e-01 7.2805e-03 2.7733e-02 -6.0000e+00 3.4959e-01 2.1296e-01 3.5145e-03 1.5305e-02 -6.0000e+00 1.4900e-01 1.5866e-04 -2.0857e-03 9.9630e-05 2.8642e-04 -6.0000e+00 1.0777e-02 1.8105e-03 -8.9495e-05 12 8 8 10 0 0 5.63 21.24 0.26 0.00181 -0.01386 96 23 1 5 0 505.930 25.79 20.00 21.24 21.08 37.9 1000.10 -133093 -24376 -106717 -38510 -258312 29282 -118978 -79568 -81753 -31518 -88595 -52404 -77172 -8268 -20420 2358 1678 26120 20527 32330 10758 16273 65429 -13321 16070 -20151 7787 -26874 35090 -46342 53972 -948 49156 11345 50253 -9628 42939 -2255 38774 7824 33334 9670 34124 2917 30589 14692 36912 16464 34677 5959 28601 22841 24394 7750 18261 4798 9704 2116 12893 1600 11863 5702 13352 11159 13571 5891 8013 4599 6241 5505 3069 3263 759 1889 -1493 -1946 -610 -1810 -2449 773 -2786 -541 -3593 -2635 -2461 -1165 -2327 -255 -794 546 -2992 -764 -5175 -2568 -3639 -644 -2527 929 -93 386 -1226 -1024 -4201 -269 -2185 -2160 -2046 25 -958 522 390 456 -124 421 -1086 -253 459 223 873 1446 947 1127 1603 1902 1855 1455 -713 1013 1444 685 965 -378 -167 -562 554 -615 -409 -97 514 -645 -149 -1633 -3067 -233 -2204 -406 -18425 135 -2389 -1100 -1184 -280 -1458 -742 -1880 -133 -471 51 41 550 480 692 280 386 948 -421 376 -683 200 -982 739 -2358 1368 -44 1732 536 1671 -547 1753 -151 2008 623 2215 865 2543 307 2545 1495 3126 1803 3331 824 3509 3240 3658 1459 3148 959 1847 426 2300 329 2375 1258 3092 2927 3541 1624 2207 1366 2049 2043 1235 1330 305 701 -521 -626 -191 -611 -974 352 -1511 -299 -2191 -1686 -1687 -831 -1752 -191 -592 383 -2034 -486 -3407 -1778 -2927 -584 -2496 1002 -107 428 -1287 -1047 -4213 -271 -2405 -2311 -2357 31 -1316 789 599 720 -195 634 -1590 -387 723 344 1418 2375 1528 1750 2414 2937 2784 2135 -1063 1625 2437 1290 1851 -776 -363 -1302 1352 -1477 -995 -238 1234 -1581 -344 -3662 SS 20231003T115412.2Z 8676.495974 262 1 48.72 2 79.02 105.33 50.26 268.08 0.00 1 0.00 1 0 25 2.747e-01 1.384e-02 9.865e-02 4.103e-03 5.653442e-01 2.265892e-03 6.929150e-03 -6.000000e+00 1.655869e-01 227.25 -2.00 3.52 -2.00 320.60 0.00e+00 2.135140e-03 9.027672e-04 3.328182e-03 -6.000000e+00 7.409007e-03 285.49 -2.00 20.00 -2.00 319.95 0.00e+00 5.061 0.002 302.00 328.00 3 2.8837e+00 7.0878e-03 6.0429e-02 -6.0000e+00 4.1035e-01 1.2349e-01 8.8779e-03 3.6105e-02 -6.0000e+00 4.4381e-01 -1.5434e-01 7.6284e-03 1.6748e-02 -6.0000e+00 2.6492e-01 5.9124e-02 3.7864e-03 4.3472e-03 -6.0000e+00 1.1288e-01 1.0570e-04 -1.3003e-03 1.2674e-04 7.6985e-05 -6.0000e+00 8.1691e-03 2.4291e-03 -1.4239e-04 12 8 8 10 0 0 99.89 21.25 0.13 0.00243 -0.00734 47 11 1 5 0 1036.390 25.79 20.00 21.25 22.01 38.0 1004.04 -133137 -25068 -135390 -40690 -5888 -67458 -122905 -70999 -73485 -13076 -108360 -17391 -77819 -2201 -59157 -5913 -29762 31341 -32665 27413 -36538 37494 4750 20554 -16539 7544 -30339 -3734 -13131 -37500 -13191 11313 -10058 11143 -5560 -11653 -5454 3512 8855 1789 9608 1686 8608 -5817 3929 2401 9387 1963 6205 -5638 9472 11779 7233 3934 4934 1472 4666 -701 5844 -1720 5513 805 5243 4388 6823 -2075 3637 -784 4289 -184 3449 663 1600 -56 1566 -4458 2359 -4280 -1263 -1265 -1936 -2496 -1526 -1650 -268 -1335 929 -38 1327 550 -1396 -983 -3525 -2089 72 424 -871 778 216 -623 -1664 -2019 -3366 202 -621 -954 -906 803 -474 1112 1576 917 347 880 -522 -624 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