File name: Pandora64s1_NewHavenCT_20240628_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240629T051749.3Z 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 v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240628_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: 20240628 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 20240628T095642.7Z 8945.414383 185 1 48.95 2 85.03 63.21 43.18 168.58 0.00 1 0.00 1 0 25 6.661e-01 7.489e-02 3.080e-01 3.266e-02 1.090490e+00 1.979378e-02 1.234462e-02 -6.000000e+00 4.109562e-01 232.95 -2.00 3.52 -2.00 321.59 0.00e+00 1.858399e-03 5.970378e-03 3.337583e-03 -6.000000e+00 1.820044e-02 287.79 -2.00 20.00 -2.00 320.83 0.00e+00 9.837 0.018 302.00 328.00 3 -2.6859e-01 6.1186e-02 1.1536e-01 -6.0000e+00 1.0324e+00 2.7927e+00 7.1619e-02 5.8422e-02 -6.0000e+00 1.1112e+00 -2.3439e+00 4.1628e-02 2.8328e-02 -6.0000e+00 6.6022e-01 6.6246e-01 2.1856e-02 8.0887e-03 -6.0000e+00 2.7923e-01 7.0431e-06 1.8450e-03 8.4281e-04 1.2270e-04 -6.0000e+00 1.9852e-02 -2.0774e-03 -6.0055e-05 12 8 8 10 0 0 79.36 21.64 0.28 -0.00208 0.01179 20 5 1 5 0 2446.760 26.11 20.00 21.64 22.13 39.4 1017.74 24957 90562 29302 147148 -29257 41954 -2766 -43549 224246 -31969 -50054 123229 -6724 57766 56335 89837 27769 46907 51335 118858 138292 900000 204507 423206 -14256 27735 -16479 49640 -5508 -74723 -15315 -5636 93362 58475 6945 102717 28425 -175 121954 17455 89973 29826 143259 -30874 -22039 -9782 77353 -34823 25653 -69775 180046 34690 900000 6695 72059 24488 27419 6644 140188 -19034 68721 -746 58684 16774 62181 -2455 17000 64584 100595 15146 79368 14710 13863 -3858 -17653 -15534 116901 16465 -2894 18479 -1067 -50069 22706 27939 5467 5937 9200 14237 20962 32697 -21690 24732 -17938 6123 6329 26302 228 19712 4157 5468 -8453 -4437 -23386 10985 -1838 -10109 -9058 2880 -2255 13595 1248 2593 346 7587 -3961 -4153 -2003 410 -4990 145 -2180 4605 -1846 4060 6215 -1910 -6495 9330 729 923 -1707 -2437 -1330 -1479 1089 -538 1812 700 2131 -1309 -395 -370 3459 6275 3347 4685 -4000 2755 -259 -6035 7139 -3772 -7218 3923 -894 5058 5717 6972 3848 5359 5618 6149 5577 900000 6511 13474 -2029 2594 -2164 3062 -592 -17353 -2468 -908 5945 4887 871 5232 3054 -28 6989 2883 7340 4392 6994 -7112 -4736 -1810 6403 -8087 3624 -26004 6879 5660 900000 1585 8890 4824 5019 1375 7439 -4431 7293 -163 7941 3772 8909 -669 3992 10024 13024 4671 13108 4478 3862 -1128 -5129 -4018 8684 3473 -887 5405 -412 -35445 8720 10619 2550 2813 4256 6133 8592 11061 -11171 8366 -9171 2810 3438 13792 180 14471 3683 4567 -7346 -3249 -19271 6645 -1326 -8273 -7973 2503 -2390 14233 1566 3389 471 9461 -5416 -5693 -2791 580 -7697 207 -3012 5942 -2332 4942 7298 -2397 -8879 12685 1211 1762 -3762 -5906 -3471 -3969 3049 -1571 5236 2052 5935 -3508 -1032 -910 SS 20240628T100848.5Z 8945.422783 188 1 48.37 2 82.99 65.10 42.77 172.89 0.00 1 0.00 1 0 25 4.917e-01 3.152e-02 1.728e-01 6.164e-03 9.745956e-01 3.738000e-03 1.340762e-02 -6.000000e+00 3.029798e-01 232.95 -2.00 3.52 -2.00 322.15 0.00e+00 4.387481e-02 2.225129e-03 3.710483e-03 -6.000000e+00 1.339262e-02 287.79 -2.00 20.00 -2.00 321.69 0.00e+00 7.504 0.008 302.00 328.00 3 1.4469e-01 1.4837e-02 9.5551e-02 -6.0000e+00 7.6076e-01 1.5758e+00 1.7703e-02 8.0719e-02 -6.0000e+00 8.1868e-01 -1.9629e+00 1.2359e-02 2.7860e-02 -6.0000e+00 4.8705e-01 7.9113e-01 6.2213e-03 3.5757e-02 -6.0000e+00 2.0585e-01 7.0126e-05 -3.4732e-03 1.6120e-04 6.8462e-04 -6.0000e+00 1.4647e-02 -4.0588e-03 -7.5744e-05 12 8 8 10 0 0 -11.82 21.64 0.18 -0.00406 -0.03016 89 21 1 5 0 543.380 26.11 20.00 21.64 22.71 39.4 1020.67 60189 125177 71693 59813 -141232 8868 -15207 -9978 -26519 19128 -90204 -19150 22194 31614 64338 171538 74005 139255 128299 144668 102172 98475 146427 92138 36980 54218 26118 11534 40872 -14161 49213 75714 74334 61083 76515 13184 79201 46579 49867 38659 98620 47189 76583 29428 47878 57108 94996 39872 59197 30047 79074 56339 78309 52350 46748 22678 36248 20826 51652 18212 33216 21310 45652 39853 48181 28769 30006 31326 29288 20860 16096 16605 14414 6417 4543 -1823 13426 -3034 752 8226 2948 -4314 4295 -807 787 -3135 15 696 1087 3948 -3433 -3376 -9806 -8381 -5908 -3826 -5452 -1505 636 -318 -1886 -1863 -7083 -2513 -5686 -6454 -5365 -2546 -3393 -1508 -1458 -1410 -1028 -1117 -1266 -1280 -224 933 1703 3137 2485 3004 3075 3572 3950 2850 -1281 1314 1311 1873 1603 627 80 -76 259 -170 -929 -84 321 -726 -573 -2617 1513 1778 1724 1373 -17542 213 -366 -185 -493 218 -2711 -356 440 743 1441 1753 2022 2343 2390 2174 2088 1776 1408 1274 756 847 518 270 811 -565 1538 2184 2457 2276 2161 605 2094 1792 1978 1812 2608 2155 2762 1608 2503 2883 3483 2484 3234 2364 4610 4032 4706 4205 3857 2280 3030 1912 3358 1692 2886 2398 4689 4965 5818 4213 4492 4827 5089 4377 3676 3738 3095 1346 861 -336 2135 -632 184 2101 930 -1670 1644 -340 345 -1485 7 332 510 1716 -1508 -1436 -4523 -4256 -3504 -2487 -4295 -1329 593 -295 -1648 -1439 -5259 -1806 -4490 -5386 -4824 -2472 -3822 -1934 -1964 -2026 -1499 -1612 -1786 -1799 -325 1407 2675 4871 3718 4230 4500 5018 5388 3870 -1823 1902 2243 3662 3525 1410 195 -197 719 -488 -2704 -244 904 -1933 -1411 -6125 SS 20240628T101924.0Z 8945.430139 191 1 48.38 2 81.17 66.73 42.54 176.71 0.00 1 0.00 1 0 17 6.460e-01 1.843e-02 8.249e-02 2.372e-03 8.446018e-01 1.396412e-03 1.036575e-02 -6.000000e+00 3.980723e-01 232.95 -2.00 3.52 -2.00 321.60 0.00e+00 1.152857e-02 7.783886e-04 6.103175e-03 -6.000000e+00 1.759542e-02 287.79 -2.00 20.00 -2.00 321.06 0.00e+00 6.154 0.004 302.00 328.00 3 3.7808e-01 5.2253e-03 8.0541e-02 -6.0000e+00 9.9953e-01 4.1457e-01 7.3069e-03 5.3483e-02 -6.0000e+00 1.0756e+00 -5.4749e-01 6.9406e-03 3.1531e-02 -6.0000e+00 6.3989e-01 2.2302e-01 3.1868e-03 1.2610e-02 -6.0000e+00 2.7048e-01 3.1084e-04 -1.2957e-03 6.4748e-05 2.5866e-04 -6.0000e+00 1.9242e-02 -4.3642e-03 -5.8854e-05 12 8 8 10 0 0 -6.97 21.65 0.18 -0.00436 -0.01410 202 49 1 5 0 239.480 26.11 20.00 21.65 23.03 39.2 1021.81 -175466 -199221 -197066 -207525 -331666 -197444 -191414 -176152 -171485 -179869 -187128 -147680 -125727 -108101 -81311 -54289 -68196 -24773 -59346 -26545 -41979 5066 -48252 -40282 -51045 -32255 -54138 -19857 -51400 -46115 -21210 10558 106 17490 -12251 15724 3403 19209 14788 28535 17664 22908 22867 18884 16520 23587 22192 20095 18547 17061 25326 25801 27813 20083 18615 16879 11647 11697 13633 10692 10881 11734 13512 14364 13675 8566 9846 6987 8638 6273 5204 3472 3126 431 929 -2247 2409 -2807 -134 371 -304 -2134 -1223 -2221 -745 -1396 -245 -588 893 48 -792 -1019 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