File name: Pandora64s1_NewHavenCT_20231031_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231103T085350.8Z 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_20231031_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: 20231031 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 20231031T121221.1Z 8704.508577 280 1 48.32 2 82.04 116.79 66.82 284.32 0.00 1 0.00 1 0 25 5.313e-01 1.675e-02 8.667e-02 2.898e-03 7.265874e-01 1.630485e-03 8.681355e-03 -6.000000e+00 3.170904e-01 224.49 -2.00 3.52 -2.00 321.45 0.00e+00 1.050624e-02 8.523615e-04 3.713173e-03 -6.000000e+00 1.412476e-02 282.06 -2.00 20.00 -2.00 320.94 0.00e+00 6.745 0.006 302.00 328.00 3 3.7779e-01 5.7952e-03 7.8334e-02 -6.0000e+00 7.8178e-01 3.0604e-01 7.8774e-03 4.1389e-02 -6.0000e+00 8.4750e-01 -4.0719e-01 7.6171e-03 2.5966e-02 -6.0000e+00 5.0594e-01 1.6563e-01 3.5744e-03 1.1988e-02 -6.0000e+00 2.1623e-01 2.1906e-04 -1.5096e-03 8.4276e-05 2.0902e-04 -6.0000e+00 1.5787e-02 3.4932e-05 -9.5142e-05 12 8 8 10 0 0 97.94 21.11 0.22 0.00003 -0.01131 163 39 1 5 0 296.430 25.68 19.99 21.11 12.85 37.3 961.61 -179198 -112666 -170087 -175669 -286877 -148965 -144466 -178583 -142242 -139198 -160525 -111775 -106026 -91827 -55285 -42989 -34676 -10385 -24501 -14278 -32313 -4143 -11686 -33863 -25988 -16335 -35638 -40143 -38106 -47145 -240 2987 2605 3848 -596 494 -1033 4750 8007 6347 15082 14411 17630 12922 17852 11740 20117 18136 15221 6724 17833 18835 18008 12271 11088 8492 10093 5575 8281 4370 8000 7839 11054 11931 10199 5384 6174 3664 5722 5208 3651 3666 2247 1145 -1220 -1699 -564 -2431 -2190 530 -1062 -1812 -2227 -2246 -1754 -939 -356 198 725 605 -406 -853 -2465 -2221 -1804 -327 -1554 819 181 -110 -1015 -2322 -3678 -989 -753 -2137 -1284 -1012 -920 57 675 123 79 214 -281 -524 364 92 1158 951 384 511 1522 996 1751 1011 -1282 809 1423 629 625 -395 -357 -455 359 -278 -517 110 585 -476 77 -1322 -2633 -955 -2691 -2730 -11422 -1642 -1592 -2977 -1768 -1770 -2721 -1453 -1738 -1712 -906 -741 -617 -161 -464 -254 -685 -66 -208 -785 -573 -337 -896 -1055 -1044 -1665 -7 93 93 139 -22 19 -44 227 441 372 883 907 1137 896 1220 887 1457 1425 1314 693 1855 2143 2248 1749 1655 1339 1582 896 1272 711 1348 1496 2328 2548 2274 1247 1470 946 1641 1691 1278 1304 778 374 -370 -476 -155 -734 -777 218 -512 -999 -1327 -1313 -1095 -613 -241 135 484 385 -245 -540 -1595 -1445 -1352 -282 -1562 845 197 -117 -1090 -2282 -3473 -951 -772 -2324 -1388 -1187 -1208 83 1075 190 122 342 -433 -798 568 141 1847 1536 605 829 2380 1506 2559 1452 -1885 1288 2398 1192 1296 -824 -791 -1079 901 -682 -1289 277 1431 -1180 181 -2979 SS 20231031T122308.7Z 8704.516073 283 1 48.24 2 80.25 118.72 68.70 285.83 0.00 1 0.00 1 0 25 3.988e-01 1.147e-02 7.376e-02 2.240e-03 6.325582e-01 1.241783e-03 7.394914e-03 -6.000000e+00 2.379296e-01 224.48 -2.00 3.52 -2.00 320.90 0.00e+00 3.721047e-03 5.530763e-04 1.240508e-03 -6.000000e+00 1.060223e-02 282.06 -2.00 20.00 -2.00 320.34 0.00e+00 5.636 0.003 302.00 328.00 3 1.2038e+00 4.0334e-03 6.5265e-02 -6.0000e+00 5.8660e-01 7.9902e-02 5.3153e-03 3.4156e-02 -6.0000e+00 6.3599e-01 -1.0150e-01 5.1103e-03 1.8432e-02 -6.0000e+00 3.7967e-01 3.8285e-02 2.4789e-03 6.4881e-03 -6.0000e+00 1.6221e-01 3.1170e-04 -1.5225e-03 6.7328e-05 9.0538e-05 -6.0000e+00 1.1848e-02 6.3550e-04 -1.5663e-04 12 8 8 10 0 0 99.95 21.12 0.17 0.00064 -0.01081 151 36 1 5 0 319.430 25.68 19.98 21.12 13.55 37.3 964.73 -125456 -135546 -86857 -159425 -246607 -143638 -59553 -153601 -60616 -109234 -75260 -84731 -36157 -70674 7341 -33294 -207 -19979 3323 -3976 -4515 -14975 5698 -18520 -204 -18051 -12074 -12310 -1353 -28093 5096 -1646 6847 5960 3517 -9489 2217 -55 1978 1931 5952 2665 4230 576 3630 7566 5801 5965 1819 1154 4108 5134 3712 4458 2731 2737 1468 1526 1031 2520 944 3730 3545 5844 3689 1604 653 1797 1868 3427 448 1699 -148 912 -552 -1521 -268 -1815 -887 392 -1473 -2064 -1710 -2341 -739 -856 284 134 877 366 69 -26 -1490 -1117 91 174 -677 918 560 -454 -488 -1584 -2554 -501 367 -1933 -811 -849 -84 264 848 340 298 6 -93 -394 444 -348 778 431 80 -84 1071 240 1417 626 -986 376 1132 128 669 -481 -680 -410 419 -253 -489 396 374 -360 130 -750 -1261 -1688 -702 -2279 -8031 -1914 -377 -2562 -490 -1551 -822 -1240 -419 -1467 87 -691 -3 -449 63 -86 -100 -373 124 -507 -5 -548 -348 -350 -39 -1105 173 -69 302 271 159 -520 124 -4 161 183 595 269 443 64 400 826 664 717 241 168 652 891 712 919 598 624 345 354 236 578 235 1010 1083 1773 1159 504 213 609 717 1460 209 801 -69 393 -220 -562 -96 -698 -391 200 -881 -1301 -1153 -1689 -565 -691 236 113 725 289 51 -18 -1064 -855 78 172 -718 1075 685 -544 -545 -1627 -2714 -512 398 -2237 -996 -1125 -115 399 1377 569 492 10 -141 -588 677 -559 1303 735 134 -135 1669 362 2049 886 -1407 578 1943 230 1298 -995 -1404 -898 972 -577 -1136 925 857 -834 286 -1587 SS 20231031T123026.1Z 8704.521135 288 1 48.35 2 79.05 120.04 69.97 286.86 0.00 1 0.00 1 0 25 2.447e-01 7.844e-03 3.045e-02 1.074e-03 5.789148e-01 5.841858e-04 6.708293e-03 -6.000000e+00 1.460546e-01 224.48 -2.00 3.52 -2.00 320.44 0.00e+00 1.903757e-03 2.281728e-04 6.403771e-04 -6.000000e+00 6.505360e-03 282.06 -2.00 20.00 -2.00 319.85 0.00e+00 5.075 0.002 302.00 328.00 3 5.2951e-01 1.7909e-03 5.8750e-02 -6.0000e+00 3.6009e-01 2.0153e-02 2.2719e-03 3.0516e-02 -6.0000e+00 3.9035e-01 -1.4504e-02 2.1188e-03 1.5858e-02 -6.0000e+00 2.3303e-01 -2.6747e-03 1.0590e-03 5.2058e-03 -6.0000e+00 9.9610e-02 1.1089e-03 -8.8726e-04 3.2464e-05 6.4647e-05 -6.0000e+00 7.2711e-03 -7.0859e-04 -8.7269e-05 11 8 0 10 0 0 99.73 21.13 0.21 -0.00071 -0.00738 364 88 1 5 0 132.810 25.68 20.00 21.13 13.75 37.5 965.52 -67136 -89696 -74759 -92053 -133042 -87950 -64156 -82395 -48114 -59527 -60841 -61891 -31680 -32005 -21057 -23841 -10163 -12623 -8004 -8626 -2979 -9086 -4394 -11824 -4192 -9167 -9712 -9695 -6485 -13739 -3085 -4117 574 -1718 -5236 -5683 -1669 -493 1033 1583 677 2196 2212 548 2507 3320 2421 3345 613 1167 2339 -6175 2346 2331 797 1563 499 938 -34 952 710 1974 1937 3777 2149 -429 23 -308 949 2158 432 1093 -362 516 -795 -1326 -759 -2016 -449 -559 -1300 -1016 -1988 -2006 -545 -462 337 375 1302 972 460 302 -823 -184 751 230 -287 1121 629 -289 -332 -1775 -1905 152 362 -1487 -297 -857 -147 350 967 311 256 104 -144 -359 352 -227 674 363 -269 -469 693 135 922 480 -1294 250 986 281 454 -561 -665 -415 483 -237 -515 456 426 -178 234 -560 -548 -1024 -775 -1070 -2228 -985 -631 -1113 -519 -779 -866 -1069 -511 -647 -467 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