File name: Pandora64s1_NewHavenCT_20230629_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230704T131135.0Z 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_20230629_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: 20230629 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 20230629T101645.4Z 8580.428303 107 1 48.57 2 81.64 66.33 136.92 290.85 0.00 1 0.00 1 0 25 7.684e-01 4.670e-02 2.098e-01 9.031e-03 7.868559e-01 5.248343e-03 1.405926e-02 -6.000000e+00 4.735823e-01 232.95 -2.00 3.52 -2.00 321.52 0.00e+00 6.388916e-02 2.389157e-03 9.664994e-03 -6.000000e+00 2.093062e-02 287.79 -2.00 20.00 -2.00 320.97 0.00e+00 6.459 0.005 302.00 328.00 3 1.9915e+00 1.7903e-02 7.7219e-02 -6.0000e+00 1.1891e+00 1.5207e+00 2.0288e-02 6.0136e-02 -6.0000e+00 1.2795e+00 -1.8379e+00 1.1808e-02 2.6621e-02 -6.0000e+00 7.6120e-01 7.6018e-01 6.4786e-03 4.0515e-02 -6.0000e+00 3.2186e-01 3.2672e-05 -4.7700e-03 2.4115e-04 9.1861e-04 -6.0000e+00 2.2887e-02 -6.0672e-03 -5.9331e-05 12 8 8 10 0 0 21.14 21.80 0.12 -0.00607 -0.04191 24 6 1 5 0 2023.450 26.21 20.00 21.80 25.46 38.1 1035.26 161212 223506 220484 279427 -81959 108664 66107 -16415 84839 26606 -54324 44483 2065 79786 141619 143252 135504 263876 123240 281954 118345 272751 159482 228202 9890 112960 19384 11864 18744 84577 41474 91926 106084 118022 95960 80068 71779 61348 67279 45711 94687 39579 53842 64217 52164 46083 97251 82470 73530 18534 80273 34262 73128 41942 55196 15371 30087 -60 25012 18094 25782 23408 45102 32060 42353 25650 25656 32798 25617 7732 15643 6151 7976 -358 -5814 -7289 15591 -13119 -4298 2353 404 -7905 -2146 -4693 -4224 -7125 -3632 -5198 -3692 1065 -6282 -4489 -14272 -13616 -11102 -4000 -7491 -758 2325 1811 1047 -1537 -5482 -4044 -6070 -5047 -6343 1943 -4306 -876 -265 -770 -516 -645 -1270 -2366 379 877 2480 4374 2899 4837 3274 5408 4799 3437 382 2971 1196 1802 1426 667 288 -286 468 -399 -1688 -299 400 -1039 -1418 -2948 5845 5166 5339 3445 -21687 3715 2431 -1003 1541 703 -2758 1102 112 3205 4209 5203 5966 3718 6256 3145 5601 2402 3464 2009 528 1989 779 542 939 2839 2750 4756 5371 5261 4647 4186 3990 3782 3962 3196 4325 3034 4119 4771 4431 4511 6476 6808 6513 2976 7443 5306 7841 6170 6690 2564 4036 -10 3239 2643 3873 4171 7499 6509 8600 5684 5698 6851 6178 2459 4752 2034 2431 -108 -1652 -1908 3384 -3883 -1398 873 177 -4015 -1099 -2556 -2412 -4368 -2232 -3301 -2298 607 -3590 -2388 -8235 -8418 -7842 -3162 -6913 -761 2449 1893 1028 -1451 -4916 -3608 -5891 -5078 -6644 2057 -5473 -1224 -390 -1198 -803 -979 -1870 -3477 564 1369 4025 7103 4642 7245 5050 7852 6770 4813 545 4520 2039 3453 2892 1459 669 -709 1169 -1039 -4485 -792 1032 -2569 -3443 -6809 SS 20230629T103232.6Z 8580.439266 112 1 48.15 2 78.90 68.74 139.58 294.52 0.00 1 0.00 1 0 25 4.170e-01 1.741e-02 8.242e-02 2.519e-03 6.845821e-01 1.434449e-03 8.294860e-03 -6.000000e+00 2.571123e-01 232.95 -2.00 3.52 -2.00 320.97 0.00e+00 1.044232e-02 6.610468e-04 3.580034e-03 -6.000000e+00 1.136137e-02 287.79 -2.00 20.00 -2.00 320.35 0.00e+00 5.009 0.002 302.00 328.00 3 1.9154e+00 4.7829e-03 6.3326e-02 -6.0000e+00 6.4560e-01 1.9021e-01 6.2624e-03 3.8995e-02 -6.0000e+00 6.9459e-01 -2.5991e-01 5.7241e-03 2.4496e-02 -6.0000e+00 4.1322e-01 1.0695e-01 2.7625e-03 1.1431e-02 -6.0000e+00 1.7479e-01 2.3977e-04 -1.2685e-03 7.3177e-05 1.7451e-04 -6.0000e+00 1.2420e-02 -8.0829e-03 -4.2692e-05 12 8 8 10 0 0 28.47 21.81 0.12 -0.00808 -0.01761 91 22 1 5 0 529.090 26.21 20.00 21.81 25.76 38.1 1036.93 -128996 -90419 -114156 -75397 -291971 -82041 -153735 -115348 -107520 -82327 -117840 -66469 -98833 -50224 -41499 11814 -31425 50156 -25358 31366 -7956 31416 2128 27349 -17704 8025 -27247 -11053 -11501 10942 5130 14256 6570 16920 8300 8031 4067 7211 10077 8954 12941 8574 12410 13550 10690 10116 15559 11017 8843 4464 14506 8741 11950 4843 7015 5161 3550 1075 4248 3646 5784 4147 8579 7402 6802 1803 4867 1653 3377 1807 2707 1299 799 -581 -195 -1962 473 -2692 -1041 -492 -786 -1132 -1755 -2879 -1312 -1668 -249 -384 538 150 -160 -595 -2162 -1824 -811 -593 -1642 499 494 -84 -472 -1272 -2584 -274 -687 -1975 -1459 -420 -732 282 498 33 5 142 -214 -110 342 41 843 1088 260 581 1349 928 1314 1351 -1060 777 1374 617 382 -301 -470 -388 287 -47 -564 303 316 -467 -266 -1071 -1521 -822 -1402 -593 -15537 -645 -2368 -1445 -1347 -849 -1852 -767 -1898 -851 -741 162 -681 591 -617 501 -172 502 48 497 -474 189 -840 -289 -318 281 172 509 292 699 358 364 216 438 711 738 1121 760 1123 1248 1048 1037 1567 1227 1066 612 2022 1426 2049 962 1413 1091 773 237 891 783 1302 1067 2390 2139 2026 554 1488 547 1239 761 1204 598 357 -247 -75 -704 163 -1011 -447 -248 -458 -696 -1169 -2057 -992 -1334 -205 -320 441 117 -118 -420 -1534 -1386 -698 -551 -1766 594 579 -102 -542 -1331 -2594 -280 -754 -2292 -1809 -522 -1012 431 777 53 8 220 -337 -169 540 64 1375 1800 424 906 2156 1428 1950 1948 -1549 1215 2271 1138 726 -610 -1010 -839 657 -111 -1367 700 755 -1068 -574 -2343 SS 20230629T103817.5Z 8580.443258 115 1 48.40 2 77.89 69.61 140.52 295.93 0.00 1 0.00 1 0 25 3.608e-01 1.192e-02 4.921e-02 1.795e-03 6.396314e-01 1.016326e-03 7.475076e-03 -6.000000e+00 2.224973e-01 232.95 -2.00 3.52 -2.00 320.65 0.00e+00 4.929579e-03 4.222229e-04 2.063365e-03 -6.000000e+00 9.831374e-03 287.79 -2.00 20.00 -2.00 319.99 0.00e+00 4.623 0.002 302.00 328.00 3 1.7739e+00 3.2396e-03 5.8209e-02 -6.0000e+00 5.5868e-01 9.2566e-02 4.1474e-03 3.5513e-02 -6.0000e+00 6.0104e-01 -1.2816e-01 3.7255e-03 1.9365e-02 -6.0000e+00 3.5756e-01 4.7198e-02 1.8325e-03 7.0617e-03 -6.0000e+00 1.5128e-01 4.3061e-04 -7.8897e-04 5.2722e-05 9.8974e-05 -6.0000e+00 1.0745e-02 -8.3845e-03 -7.3592e-06 12 8 8 10 0 0 11.49 21.83 0.16 -0.00838 -0.01431 135 32 1 5 0 358.450 26.21 20.00 21.83 25.84 38.1 1037.28 -124178 -79214 -132022 -101181 -239847 -102228 -98217 -108371 -87599 -80128 -93959 -48933 -67108 -63933 -28521 -11321 -18690 -4163 -12791 -4479 -15722 946 -3950 -4224 -10421 -14970 -14103 -15312 -8216 -3880 98 1050 2608 2169 -493 -6132 -3105 -769 1694 -399 2659 2212 5271 3397 2249 3201 6271 3157 4894 665 6582 6103 6488 4157 3913 2093 2211 536 2049 568 2994 2768 4080 4570 4568 638 1940 464 1703 1869 1243 698 -234 262 -100 -1921 -488 -2950 -1435 -496 -1567 -1283 -2268 -2331 -741 -749 -169 228 779 865 130 435 -1097 -566 298 118 -623 709 482 -469 -702 -1543 -2347 -157 -8 -1576 -556 -583 -620 257 588 306 184 287 -88 -251 498 -9 672 632 -60 146 792 470 1137 1129 -1273 447 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