File name: Pandora64s1_NewHavenCT_20230903_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230904T162936.9Z 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_20230903_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: 20230903 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 20230903T111022.2Z 8646.465535 232 1 49.10 2 81.42 87.47 55.04 250.98 0.00 1 0.00 1 0 25 8.423e-01 5.177e-02 2.393e-01 1.215e-02 7.708692e-01 7.108796e-03 1.589434e-02 -6.000000e+00 5.152830e-01 230.27 -2.00 3.52 -2.00 321.54 0.00e+00 7.645831e-02 3.210973e-03 1.146590e-02 -6.000000e+00 2.345577e-02 288.61 -2.00 20.00 -2.00 320.99 0.00e+00 6.311 0.005 302.00 328.00 3 2.4551e+00 2.4502e-02 7.4934e-02 -6.0000e+00 1.2881e+00 1.6241e+00 2.7544e-02 6.8423e-02 -6.0000e+00 1.3897e+00 -1.9504e+00 1.4760e-02 2.4683e-02 -6.0000e+00 8.2589e-01 7.9240e-01 8.4859e-03 4.5643e-02 -6.0000e+00 3.5108e-01 2.3036e-05 -5.7820e-03 3.2699e-04 1.0893e-03 -6.0000e+00 2.5132e-02 -4.3562e-03 -1.6156e-05 12 8 8 10 0 0 70.49 21.90 0.21 -0.00436 -0.04781 28 7 1 5 0 1753.210 26.32 20.00 21.90 27.25 38.1 1031.65 247136 213851 300836 186073 -61910 98411 176945 -34827 900000 26472 270374 -5358 59591 33497 214676 146303 121059 296759 210548 146276 236521 291527 900000 132408 45339 7952 22265 -18335 108168 -37477 79300 89937 101233 133560 91397 41755 79091 65590 79899 34411 116475 29212 53234 22312 29979 96522 82194 97405 65902 32571 83075 136229 61924 41493 45556 34915 13515 24911 22941 21394 21599 28681 47294 47495 78208 38321 33141 39683 26240 24808 12946 24025 -379 -660 -14732 -5733 10979 -10064 -4193 6348 -636 -6404 -4039 -3516 -4111 -7757 -7142 -890 -1599 2006 -5093 -2628 -21309 -15448 -13144 -4008 -8024 -2034 -70 1825 1702 -3441 -10147 -3701 -5874 -6797 -4648 1944 -4253 -1576 515 -508 -585 -9 -96 -2609 830 1098 2000 3057 4409 3677 5464 4355 7433 2917 509 1322 2731 1351 1336 142 1134 -648 361 -708 -998 -514 603 -774 -1281 -3496 5855 8074 4900 8265 -19874 5280 3214 -3130 900000 764 3203 -230 2118 2311 3899 6282 7618 3750 6318 7364 4483 3453 900000 3032 1712 365 841 -1113 2392 -4178 4110 5193 5921 5636 5075 3431 4274 3933 4081 2751 4323 2487 3902 2445 3329 6074 6450 7067 6831 4607 7995 8606 7794 5985 6206 4782 1978 3209 2955 2978 3176 4596 7349 8406 11406 7663 6951 7797 6253 6586 3987 6529 -123 -194 -4465 -1438 2287 -2805 -1326 2216 -261 -3131 -2057 -1837 -2267 -4620 -4385 -523 -944 1100 -2792 -1326 -12677 -9292 -9048 -3041 -7164 -2000 -73 1864 1624 -3074 -8787 -3176 -5196 -6361 -4604 1984 -5211 -2143 763 -763 -881 -13 -142 -3904 1248 1654 3160 4892 6776 5718 8053 6247 9967 4010 707 1986 4446 2528 2767 320 2542 -1564 916 -1877 -2675 -1386 1586 -1954 -3043 -8360 SS 20230903T112924.7Z 8646.478758 243 1 48.37 2 77.85 90.60 58.31 254.78 0.00 1 0.00 1 0 25 3.419e-01 9.549e-03 3.571e-02 1.285e-03 6.176230e-01 7.152845e-04 7.241205e-03 -6.000000e+00 2.087474e-01 230.27 -2.00 3.52 -2.00 320.56 0.00e+00 2.718845e-03 2.956564e-04 1.842413e-03 -6.000000e+00 9.347501e-03 288.61 -2.00 20.00 -2.00 319.89 0.00e+00 4.606 0.002 302.00 328.00 3 1.2402e+00 2.2653e-03 5.7027e-02 -6.0000e+00 5.2053e-01 1.1061e-02 2.9149e-03 3.4221e-02 -6.0000e+00 5.6108e-01 -4.7505e-02 2.6306e-03 1.7678e-02 -6.0000e+00 3.3474e-01 1.3231e-02 1.3002e-03 5.3979e-03 -6.0000e+00 1.4247e-01 7.9887e-04 -7.2904e-04 3.7747e-05 7.6976e-05 -6.0000e+00 1.0178e-02 -6.0664e-03 -1.6062e-05 12 8 8 10 0 0 7.61 21.92 0.19 -0.00607 -0.01154 247 59 1 5 0 195.780 26.32 20.01 21.92 27.25 38.3 1032.17 -129676 -97194 -122626 -104840 -203774 -106336 -100512 -91715 -82048 -67286 -87095 -65980 -64879 -45081 -33414 -22251 -27066 -12741 -14735 -12798 -20004 -9137 -5251 -11450 -9668 -5244 -9848 -13193 -9699 -19703 -3608 -2536 656 -4371 -4635 -6932 1391 -2367 2510 678 3428 -89 3685 215 3717 1641 5406 1604 2429 -1269 4863 338 3363 2240 3060 1367 2189 867 1159 176 1645 1981 3184 4396 2738 193 977 -162 1725 2180 860 854 -171 -107 -326 -1832 -690 -2772 -1139 -523 -1824 -787 -1760 -2100 -515 -133 372 730 1236 944 78 437 -1205 -344 228 290 -345 847 488 -421 -804 -1762 -2314 -24 -2 -1655 -695 -811 -407 545 923 551 158 283 -186 -322 222 -67 803 580 -130 -138 699 457 1008 721 -1332 263 993 437 430 -732 -610 -435 442 -148 -524 414 483 -294 196 -763 -1559 -950 -1644 -1116 -5059 -1145 -1133 -1080 -987 -759 -1287 -950 -1178 -847 -691 -482 -685 -311 -393 -356 -611 -255 -153 -386 -342 -187 -370 -502 -367 -844 -157 -126 36 -261 -268 -437 92 -196 242 78 420 -11 464 29 489 227 738 238 376 -222 897 72 759 554 785 372 604 240 315 49 479 641 1053 1580 1014 71 367 -64 762 1083 463 471 -93 -54 -152 -792 -288 -1235 -573 -307 -1152 -555 -1346 -1714 -446 -113 328 650 1082 844 66 350 -966 -292 203 297 -379 1028 620 -523 -937 -2016 -2543 -27 -2 -1985 -884 -1109 -574 843 1451 891 252 458 -288 -488 344 -108 1291 953 -211 -228 1118 701 1491 1036 -1930 407 1613 785 792 -1435 -1260 -904 973 -338 -1167 927 1063 -652 413 -1546 SS 20230903T113509.6Z 8646.482750 246 1 48.35 2 76.77 91.56 59.32 255.88 0.00 1 0.00 1 0 25 2.358e-01 7.940e-03 2.414e-02 9.745e-04 5.756246e-01 5.392767e-04 6.701282e-03 -6.000000e+00 1.439280e-01 230.27 -2.00 3.52 -2.00 320.24 0.00e+00 1.683084e-03 2.010796e-04 1.038380e-03 -6.000000e+00 6.444935e-03 288.61 -2.00 20.00 -2.00 319.54 0.00e+00 4.257 0.001 302.00 328.00 3 1.1332e+00 1.6374e-03 5.2561e-02 -6.0000e+00 3.5889e-01 -1.0823e-02 2.0375e-03 3.0980e-02 -6.0000e+00 3.8686e-01 -1.2398e-02 1.7801e-03 1.5626e-02 -6.0000e+00 2.3080e-01 -2.1885e-03 9.0064e-04 4.6532e-03 -6.0000e+00 9.8233e-02 1.2973e-03 -7.2007e-04 2.8935e-05 5.9391e-05 -6.0000e+00 7.0173e-03 -6.2112e-03 -2.0625e-05 11 8 0 10 0 0 -5.70 21.91 0.17 -0.00621 -0.01162 329 79 1 5 0 146.930 26.32 20.00 21.91 27.77 38.2 1035.23 -83040 -72784 -70307 -82011 -141038 -79981 -62885 -80397 -54156 -53450 -48833 -51727 -32504 -29798 -13334 -18561 -11851 -15454 -3197 -6883 -6904 -6497 -2107 -7974 -1767 -7096 -3795 -11226 -3425 -12245 1320 -3061 3971 -2605 -3090 -6040 -985 -1702 3264 521 1794 112 2481 -418 997 1098 983 357 744 -806 1769 1758 1551 1275 1247 783 1457 963 -14 83 654 1962 2517 3546 1896 -798 562 -797 655 2169 376 864 -363 280 -507 -1465 -1080 -2217 -1387 -197 -1468 -535 -1885 -1910 -502 -148 529 583 1147 945 273 692 -836 -109 408 237 -293 1036 621 -420 -656 -1700 -2219 -106 161 -1429 -602 -625 -136 470 811 388 359 128 -134 -327 476 -171 601 261 -228 -311 691 211 889 753 -1215 224 862 202 384 -569 -662 -461 460 -143 -394 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