File name: Pandora64s1_NewHavenCT_20230921_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230923T110739.0Z 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_20230921_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: 20230921 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 20230921T111907.0Z 8664.471608 59 1 48.53 2 83.10 95.16 153.02 64.59 0.00 1 0.00 1 0 25 5.844e-01 3.706e-02 1.834e-01 7.425e-03 8.160434e-01 4.338513e-03 1.252375e-02 -6.000000e+00 3.540487e-01 228.59 -2.00 3.52 -2.00 321.86 0.00e+00 4.707577e-02 2.377943e-03 7.637272e-03 -6.000000e+00 1.619860e-02 286.96 -2.00 20.00 -2.00 321.35 0.00e+00 7.613 0.008 302.00 328.00 3 6.3349e-01 1.6413e-02 8.7858e-02 -6.0000e+00 8.7986e-01 1.3822e+00 1.9085e-02 5.2799e-02 -6.0000e+00 9.5051e-01 -1.7231e+00 1.2392e-02 2.6329e-02 -6.0000e+00 5.6718e-01 6.9663e-01 6.3816e-03 3.1778e-02 -6.0000e+00 2.4170e-01 4.8883e-05 -3.4584e-03 2.0608e-04 7.4693e-04 -6.0000e+00 1.7412e-02 3.4371e-03 -9.7352e-05 12 8 8 10 0 0 83.62 21.08 0.31 0.00344 -0.02255 57 14 1 5 0 851.190 25.68 19.99 21.08 17.86 37.6 984.89 101931 192300 72686 174716 -119798 127624 -12802 -35847 39359 68497 -66639 900000 1691 65497 133031 118502 101475 163824 99465 158285 89021 165357 96814 86845 81218 34112 20689 57681 36903 -20194 78421 75459 100052 97650 81413 63872 157624 37153 91789 43740 96700 40481 88718 29329 75362 50887 93559 48918 69094 20129 87431 56096 67826 38291 61958 18268 27197 7230 39292 12438 37503 21795 37387 31387 54054 24697 27872 27168 24162 14285 17472 10548 10048 2364 3209 -1085 12717 -5082 -610 3161 1091 -11083 -260 -3812 -1267 -5275 -1372 -999 404 489 -5283 -5597 -11594 -9428 -7492 -3967 -5384 690 918 843 -769 -1325 -7683 -2579 -4954 -5489 -5213 728 -4567 -296 -224 -765 -1402 -549 -2001 -1223 -225 930 1361 2870 3155 3675 2987 4316 3458 3069 -867 2064 1907 1550 1399 587 203 -346 243 -505 -463 -244 855 -1118 -830 -2797 2750 2278 2822 2070 -19584 1512 -480 -1368 596 744 -2456 900000 58 1681 2504 2807 3139 3202 3338 3094 2812 2274 2243 1823 1529 938 629 1253 1122 -1249 2611 3059 3549 3464 3006 2682 2624 1956 3256 2389 3500 2424 3853 2200 4146 3449 4808 3799 4592 2318 5581 5205 5802 4485 5504 2392 3096 952 3672 1580 4072 3184 5388 5412 7683 4632 5154 5203 5247 3779 4634 2971 2665 616 741 -239 2444 -1281 -178 982 401 -5188 -116 -1851 -635 -2874 -746 -548 217 249 -2674 -2728 -6022 -5278 -4858 -2975 -4833 621 879 792 -680 -1139 -6525 -2139 -4489 -5252 -4996 724 -5450 -386 -325 -1170 -2168 -821 -2946 -1776 -338 1454 2237 4693 4977 5508 4378 6013 4735 4139 -1221 3147 3384 2899 2901 1314 487 -889 617 -1331 -1232 -655 2220 -2987 -2072 -6701 SS 20230921T112945.7Z 8664.479001 62 1 48.23 2 81.12 96.95 151.30 67.76 0.00 1 0.00 1 0 25 4.795e-01 1.793e-02 7.735e-02 2.666e-03 7.146626e-01 1.527973e-03 8.858128e-03 -6.000000e+00 2.905015e-01 228.58 -2.00 3.52 -2.00 321.30 0.00e+00 9.788115e-03 7.702563e-04 4.883016e-03 -6.000000e+00 1.301003e-02 286.96 -2.00 20.00 -2.00 320.72 0.00e+00 6.122 0.004 302.00 328.00 3 8.6086e-01 5.3745e-03 7.4294e-02 -6.0000e+00 7.2183e-01 2.8426e-01 7.1399e-03 4.3946e-02 -6.0000e+00 7.7967e-01 -3.9894e-01 6.4904e-03 2.5591e-02 -6.0000e+00 4.6533e-01 1.6421e-01 3.0739e-03 9.9900e-03 -6.0000e+00 1.9805e-01 2.4194e-04 -1.2131e-03 7.7748e-05 1.9516e-04 -6.0000e+00 1.4262e-02 2.7315e-03 -7.4826e-05 12 8 8 10 0 0 89.01 21.07 0.18 0.00273 -0.00638 143 34 1 5 0 337.180 25.68 20.00 21.07 18.88 37.5 989.06 -191260 -121707 -133909 -99096 -285585 -114510 -171805 -125704 -137802 -106763 -148707 -110422 -85772 -61222 -42944 -30739 -44750 -1816 -32165 6274 -27549 14470 -15872 -12682 -22726 -13424 -24530 -17962 -20090 -29544 -970 11085 13557 10904 9290 1670 -859 8695 12247 7536 15352 11712 18346 6644 20183 17765 21620 14116 18256 8923 20251 8558 14293 10057 12844 6531 8404 4022 8895 4859 9002 7312 10217 10651 10169 3411 6716 3951 5004 4774 3798 3451 2873 1397 159 -3239 773 -3347 -988 330 -686 -2402 -1901 -3438 -1384 -1862 -392 -891 811 -86 -788 -1456 -2660 -2927 -1498 -1234 -1361 362 15 -732 -792 -1670 -3225 -258 -886 -1878 -1307 -882 -651 491 782 217 -65 9 -574 -359 285 404 871 1096 464 564 1273 1409 1752 1107 -1132 1011 950 567 573 -292 -558 -243 251 -86 -496 344 342 -367 -223 -1518 -3571 -1392 -1810 -876 -13769 -1102 -3082 -1536 -2042 -1221 -2784 -1751 -1405 -1019 -748 -559 -1047 -31 -778 108 -659 226 -351 -284 -579 -321 -657 -448 -543 -1029 -31 369 504 422 350 72 -39 421 683 506 1038 875 1353 564 1546 1444 1758 1311 1730 1016 2321 1216 2084 1647 2116 1082 1506 739 1528 885 1691 1445 2227 2566 2512 891 1753 1120 1595 1715 1461 1353 1087 500 52 -1015 231 -1120 -379 148 -331 -1336 -1130 -2206 -934 -1330 -287 -663 586 -60 -517 -925 -1714 -2063 -1201 -1065 -1354 400 17 -829 -834 -1605 -2996 -244 -900 -2019 -1506 -1101 -845 707 1224 353 -105 13 -866 -533 435 645 1457 1848 766 894 1951 2069 2496 1545 -1617 1560 1668 1041 1148 -625 -1199 -555 609 -216 -1199 881 857 -878 -503 -3310 SS 20230921T114144.4Z 8664.487319 67 1 48.39 2 78.89 98.98 149.31 71.01 0.00 1 0.00 1 0 25 3.228e-01 8.883e-03 3.487e-02 1.186e-03 6.069007e-01 6.592310e-04 7.061973e-03 -6.000000e+00 1.956170e-01 228.58 -2.00 3.52 -2.00 320.59 0.00e+00 2.197616e-03 2.721730e-04 1.409971e-03 -6.000000e+00 8.759539e-03 286.95 -2.00 20.00 -2.00 319.93 0.00e+00 5.004 0.002 302.00 328.00 3 7.2440e-01 2.0918e-03 5.9592e-02 -6.0000e+00 4.8607e-01 2.5690e-02 2.6867e-03 3.3088e-02 -6.0000e+00 5.2499e-01 -3.8706e-02 2.4355e-03 1.7109e-02 -6.0000e+00 3.1333e-01 8.7668e-03 1.1998e-03 5.3116e-03 -6.0000e+00 1.3338e-01 9.3564e-04 -6.2169e-04 3.5596e-05 7.3891e-05 -6.0000e+00 9.6035e-03 2.1780e-03 -6.3613e-05 11 8 0 10 0 0 76.17 21.07 0.22 0.00218 -0.00249 311 75 1 5 0 155.560 25.68 20.00 21.07 19.72 37.7 992.74 -132344 -90646 -123807 -76632 -196980 -93715 -111482 -78422 -82707 -54274 -86351 -39158 -60096 -29992 -30468 -15360 -20503 -14260 -20656 -13826 -17908 -7077 -9843 -13501 -9582 -10497 -7358 -16650 -8429 -17233 -2595 -2601 3524 -4017 -2034 -7124 -1321 -3002 4439 542 3760 332 3937 -621 4359 447 4438 829 3148 -170 4711 2077 4375 1612 2270 507 1593 -103 1081 626 1595 1833 2849 3394 2349 -583 749 -463 1651 2195 1039 648 -166 241 -618 -1551 -953 -1759 -788 -590 -1507 -1018 -2235 -1815 -779 -343 336 429 1176 994 96 257 -1065 -57 568 313 -391 1013 270 -266 -655 -1611 -2382 216 139 -1279 -686 -580 -272 403 763 350 258 230 -324 -251 387 -105 702 471 -147 -249 819 179 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