File name: Pandora64s1_NewHavenCT_20230905_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230906T120234.8Z 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_20230905_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: 20230905 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 20230905T112845.4Z 8648.478303 238 1 48.59 2 78.33 91.18 33.45 242.83 0.00 1 0.00 1 0 25 3.321e-01 1.068e-02 7.978e-02 3.106e-03 5.986796e-01 1.735288e-03 7.065524e-03 -6.000000e+00 2.026199e-01 230.10 -2.00 3.52 -2.00 320.60 0.00e+00 2.944338e-03 7.145125e-04 2.054022e-03 -6.000000e+00 9.072758e-03 288.46 -2.00 20.00 -2.00 319.93 0.00e+00 4.781 0.002 302.00 328.00 3 2.7390e+00 5.4836e-03 5.7934e-02 -6.0000e+00 5.0507e-01 5.6523e-02 7.0054e-03 3.3578e-02 -6.0000e+00 5.4450e-01 -8.0195e-02 6.2214e-03 1.7281e-02 -6.0000e+00 3.2486e-01 2.6016e-02 3.0783e-03 5.2135e-03 -6.0000e+00 1.3830e-01 1.5268e-04 -8.4188e-04 9.2628e-05 7.8618e-05 -6.0000e+00 9.8841e-03 -5.9108e-03 -2.3784e-06 12 8 8 10 0 0 90.68 21.91 0.11 -0.00591 -0.01224 45 11 1 5 0 1079.510 26.32 20.01 21.91 29.73 38.4 1044.08 -133951 -81630 -108268 -129720 -123166 -120667 -41628 -133794 -73822 -73019 -102976 -60156 -67099 -76559 -39362 -17791 -60007 -20751 -34813 6438 -13326 21502 22394 2884 -7791 4204 -14578 -12446 -5407 -39902 335 -3396 -1467 5653 -2490 -8698 305 -3963 2659 1953 6238 2952 5015 -5276 -893 4192 5483 1882 700 -6920 3523 3607 4679 3546 4579 458 3226 339 4694 1247 170 1483 4500 5601 5144 -106 2153 95 2149 1623 1420 1455 -16 -890 -262 -1578 1490 -3524 -2411 -200 -1629 -1809 -1636 -1711 -590 -869 102 667 2142 487 39 212 -2017 -593 487 479 -339 928 517 -345 -1047 -1789 -3241 -113 -332 -1547 -700 69 -793 351 755 318 102 66 -243 -111 447 -78 484 644 -102 32 875 1004 1262 513 -1137 400 994 -18 473 -544 -596 -364 511 -210 -311 526 550 -413 -336 -735 -1981 -850 -1557 -2057 -1842 -1827 -315 -2717 -978 -1037 -1981 -956 -1363 -2141 -933 -396 -2256 -584 -1203 156 -401 492 547 87 -279 140 -590 -481 -199 -2195 15 -187 -85 333 -153 -572 21 -340 259 223 749 370 647 -768 -127 583 769 285 113 -1299 667 752 1049 870 1160 126 880 94 1228 342 50 455 1498 2023 1887 -40 805 38 947 774 724 760 -8 -435 -122 -681 606 -1573 -1219 -110 -1040 -1244 -1205 -1341 -492 -768 89 588 1923 423 32 164 -1566 -483 443 477 -371 1120 654 -427 -1220 -1999 -3511 -125 -377 -1852 -889 89 -1141 530 1225 530 168 104 -364 -169 668 -122 800 1086 -170 52 1359 1551 1883 747 -1661 622 1652 -33 871 -1062 -1227 -766 1100 -472 -710 1210 1245 -899 -722 -1516 SS 20230905T113347.1Z 8648.481795 241 1 48.21 2 77.38 92.01 34.27 244.27 0.00 1 0.00 1 0 25 2.494e-01 1.068e-02 4.240e-02 1.843e-03 5.638607e-01 1.018050e-03 6.629208e-03 -6.000000e+00 1.521353e-01 230.10 -2.00 3.52 -2.00 320.31 0.00e+00 2.916994e-03 3.821307e-04 1.416681e-03 -6.000000e+00 6.812383e-03 288.45 -2.00 20.00 -2.00 319.61 0.00e+00 4.450 0.002 302.00 328.00 3 2.1516e+00 3.1144e-03 5.3824e-02 -6.0000e+00 3.7922e-01 3.3570e-02 3.8723e-03 3.0606e-02 -6.0000e+00 4.0884e-01 -6.5195e-02 3.3346e-03 1.5721e-02 -6.0000e+00 2.4392e-01 2.1308e-02 1.6818e-03 4.9708e-03 -6.0000e+00 1.0384e-01 3.9299e-04 -7.6797e-04 5.5528e-05 6.8602e-05 -6.0000e+00 7.4220e-03 -6.1723e-03 -2.7894e-05 12 9 8 11 8 0 61.37 21.91 0.21 -0.00617 -0.01194 107 26 1 5 0 450.460 26.32 20.01 21.91 29.82 38.5 1044.89 -88986 -63958 -52912 -58949 -197388 -57979 -75318 -77204 -50910 -43726 -42542 -37470 -30665 -29905 -24373 -879 -21429 950 -8760 1686 -9096 12550 3205 9124 -6370 1135 -9818 -498 -10056 -12233 371 4215 2217 6979 -4219 -786 -3112 2298 481 2423 1071 2718 2397 -352 1363 3427 3574 3319 845 -37 3927 1679 2567 1840 2513 1518 852 -33 1463 798 1440 1789 2605 3749 3060 -61 1230 -400 1079 1870 1437 604 335 130 -823 -2138 -644 -2652 -781 -639 -1216 -1327 -1836 -2445 -424 -418 194 592 1043 633 -57 361 -823 -707 159 261 -474 928 606 -411 -702 -1763 -2347 -154 28 -1546 -491 -539 -259 446 909 334 200 137 -41 -288 244 -208 628 581 -316 102 858 515 980 1038 -1339 420 932 297 386 -509 -465 -238 416 -81 -701 342 385 -309 7 -694 -1311 -816 -637 -710 -8157 -677 -1150 -1359 -768 -660 -673 -667 -639 -699 -657 -22 -714 28 -302 55 -339 381 115 332 -287 50 -481 -22 -490 -675 21 264 161 495 -322 -61 -284 238 56 322 158 419 389 -60 232 586 621 599 163 -8 882 423 695 541 764 484 258 -11 464 258 454 623 1002 1556 1287 -25 516 -177 531 1030 848 342 199 73 -426 -1026 -295 -1286 -424 -374 -816 -1001 -1491 -2123 -363 -378 182 561 973 563 -48 306 -688 -626 146 274 -531 1145 781 -519 -831 -1928 -2641 -179 32 -1902 -639 -750 -371 697 1434 540 318 220 -62 -430 373 -334 997 945 -510 168 1368 789 1444 1478 -1923 638 1481 520 727 -960 -920 -475 878 -177 -1574 772 856 -660 15 -1436 SS 20230905T113935.0Z 8648.485822 244 1 48.44 2 76.30 92.98 35.23 245.87 0.00 1 0.00 1 0 25 1.747e-01 8.417e-03 2.629e-02 1.367e-03 5.268771e-01 7.499035e-04 6.166208e-03 -6.000000e+00 1.065577e-01 230.10 -2.00 3.52 -2.00 319.98 0.00e+00 9.997580e-04 2.519033e-04 9.971917e-04 -6.000000e+00 4.771415e-03 288.45 -2.00 20.00 -2.00 319.26 0.00e+00 4.121 0.001 302.00 328.00 3 1.9996e+00 2.2160e-03 4.9904e-02 -6.0000e+00 2.6561e-01 6.5002e-03 2.6874e-03 2.8411e-02 -6.0000e+00 2.8635e-01 -3.0325e-02 2.2246e-03 1.4025e-02 -6.0000e+00 1.7084e-01 6.6798e-03 1.1406e-03 3.9372e-03 -6.0000e+00 7.2730e-02 6.5688e-04 -6.6894e-04 4.1521e-05 4.8932e-05 -6.0000e+00 5.1983e-03 -6.2426e-03 -2.2551e-05 11 8 0 10 0 0 75.10 21.92 0.18 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