File name: Pandora64s1_NewHavenCT_20250327_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250328T052646.8Z 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 v1.8.75 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250327_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: 20250327 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 20250327T112430.4Z 9217.475352 71 1 48.02 2 82.98 92.45 74.67 118.95 0.00 1 0.00 1 0 17 6.897e-01 3.322e-02 2.687e-01 9.488e-03 1.264200e+00 5.852529e-03 1.436626e-02 -6.000000e+00 4.173678e-01 227.05 -2.00 3.52 -2.00 322.44 0.00e+00 3.153755e-02 2.986297e-03 1.226012e-02 -6.000000e+00 1.809948e-02 278.06 -2.00 20.00 -2.00 322.05 0.00e+00 7.511 0.008 302.00 328.00 3 4.2849e-01 2.1723e-02 1.4384e-01 -6.0000e+00 1.0381e+00 2.3899e+00 2.4823e-02 1.5690e-01 -6.0000e+00 1.1260e+00 -2.9229e+00 1.5850e-02 3.5405e-02 -6.0000e+00 6.6856e-01 1.1340e+00 8.7584e-03 3.5157e-02 -6.0000e+00 2.8160e-01 3.4414e-05 -3.1889e-03 2.2355e-04 3.3874e-04 -6.0000e+00 2.0502e-02 2.2611e-03 -1.2897e-04 12 9 8 11 8 0 29.73 21.58 0.13 0.00226 -0.02170 59 14 1 5 0 813.730 26.00 20.00 21.58 7.00 38.3 953.57 122211 216640 163390 176041 -82611 154050 41394 52450 19931 188621 -34360 91711 18722 45464 87809 214866 72731 900000 51916 165639 58623 224363 67327 185764 -21559 184232 -56446 173146 -39569 -49418 -7952 116995 37872 151544 19745 52784 -6256 144493 42031 87811 20578 38962 49101 4429 29231 48705 42216 47491 42527 -8203 70486 117412 142455 42574 113528 36664 47608 28310 71254 16372 43882 17083 71724 1593 83344 10237 52744 42388 61245 20808 38261 12536 35540 201 22932 -28064 56196 -18820 4733 3406 13309 335 16911 -2345 9053 -4612 12859 -3132 11447 1363 -1074 -7829 -6335 -11423 -2315 -3050 -3302 -42 356 -282 -799 -2387 -9044 -3803 -5842 -3892 -8457 1732 -3910 -1730 -2119 -1698 -1803 -433 -3688 -1248 -1079 1174 338 4319 1255 5567 2222 6311 1279 4030 -2279 2164 381 1804 639 643 -689 482 -395 357 -564 773 864 -249 -1724 -2479 5652 4141 4534 3582 -13967 2280 1388 1358 565 1745 -1450 1470 823 2076 3300 2782 3868 900000 3241 3166 2576 2075 2076 1718 -1097 1704 -3329 1602 -2105 -3685 -520 2742 2014 2804 1096 1953 -391 2387 1918 2653 1231 1946 2241 311 1604 2253 2187 2519 2544 -830 3825 4272 4518 3518 4481 2984 3259 2147 3252 1262 2706 1570 4467 216 5653 1379 4940 4680 6232 3477 5486 2254 4602 32 2545 -4705 4470 -3416 848 766 3020 99 4582 -801 2877 -1721 4107 -1166 3581 445 -338 -2620 -2216 -4904 -1119 -1729 -2262 -33 297 -232 -604 -1584 -5730 -2292 -3783 -2584 -6449 1350 -3826 -1874 -2677 -2332 -2582 -616 -5364 -1776 -1597 1775 532 6380 1780 7030 2792 7374 1547 4710 -2927 3112 648 3567 1465 1550 -1840 1374 -1154 1057 -1681 2262 2540 -676 -4317 -6007 SS 20250327T113510.1Z 9217.482756 74 1 48.48 2 80.98 94.23 72.95 120.92 0.00 1 0.00 1 0 25 5.773e-01 2.328e-02 1.181e-01 3.183e-03 1.103632e+00 1.895005e-03 1.211677e-02 -6.000000e+00 3.477049e-01 227.05 -2.00 3.52 -2.00 322.08 0.00e+00 1.832408e-02 1.074440e-03 4.078064e-03 -6.000000e+00 1.509644e-02 278.06 -2.00 20.00 -2.00 321.67 0.00e+00 6.044 0.004 302.00 328.00 3 6.2767e-01 7.0242e-03 9.5084e-02 -6.0000e+00 8.6349e-01 1.0508e+00 1.0028e-02 8.8085e-02 -6.0000e+00 9.3520e-01 -1.3932e+00 1.0073e-02 3.3625e-02 -6.0000e+00 5.5582e-01 5.6803e-01 4.6001e-03 2.2042e-02 -6.0000e+00 2.3531e-01 1.7962e-04 -2.3673e-03 7.7468e-05 2.7542e-04 -6.0000e+00 1.7160e-02 1.4497e-03 -1.1849e-04 12 8 8 10 0 0 7.81 21.61 0.20 0.00145 -0.01634 152 37 1 5 0 318.900 26.00 20.00 21.61 7.72 38.1 956.35 -126726 -144396 -90197 -141297 -288512 -195018 -175917 -174007 -130568 -145383 -182123 -145241 -127134 -106383 -50952 -11072 -35407 58612 -31077 43955 -45296 13980 -40146 2005 -48929 -37665 -75287 -49896 -70988 -49993 -35671 17839 -3814 47462 -7687 20957 -3484 26803 10802 46649 33230 49547 22533 26371 26693 40290 34509 53420 32836 37260 44201 89229 50415 43292 41926 32967 29515 26456 27052 25170 27644 26718 32447 25164 31822 23610 23960 19064 22231 18971 19315 14124 14243 6966 8394 -226 7553 -3048 3481 3893 3479 539 2386 -2098 1916 -1438 2929 1474 2759 -674 -756 -3011 -3947 -5506 -2789 -3383 -2641 -374 -37 -1349 -1072 -3399 -4365 -2357 -1846 -3628 -2895 -2666 -2359 -1276 -238 -1026 -719 -628 -1117 -1051 287 435 1557 2116 1604 1777 2201 2448 2316 2151 -1111 1205 1204 1142 837 209 -273 -242 391 -10 -590 483 415 -313 -863 -2273 -1394 -2078 -840 -1754 -13512 -3301 -2566 -2430 -1175 -1534 -2996 -2164 -2249 -2113 -759 -134 -615 437 -579 382 -900 143 -698 22 -881 -596 -1706 -883 -1718 -1241 -1018 360 -110 825 -215 442 -102 657 359 1216 1062 1415 881 1007 1044 1438 1392 1956 1620 1966 2483 3545 2916 2882 2886 2502 2282 2008 1946 1839 2106 2359 3177 3060 3843 3171 3434 3093 3970 3918 3816 2926 2998 1421 1494 -40 1281 -650 784 1071 1136 209 984 -954 885 -713 1431 732 1323 -317 -336 -1354 -1877 -3046 -1674 -2470 -2270 -364 -36 -1380 -1005 -2854 -3375 -1819 -1498 -3132 -2706 -2776 -2646 -1657 -349 -1514 -1085 -940 -1644 -1648 429 676 2476 3290 2528 2622 3120 3339 3097 2838 -1545 1880 2090 2295 1782 487 -691 -622 1060 -29 -1657 1339 1110 -778 -2104 -5202 SS 20250327T114620.4Z 9217.490514 79 1 48.38 2 78.88 96.10 71.18 123.03 0.00 1 0.00 1 0 25 8.696e-01 1.416e-02 6.377e-02 1.492e-03 9.471397e-01 8.593949e-04 1.058563e-02 -6.000000e+00 5.238967e-01 227.05 -2.00 3.52 -2.00 321.51 0.00e+00 7.467720e-03 4.457619e-04 2.441869e-03 -6.000000e+00 2.273843e-02 278.06 -2.00 20.00 -2.00 321.06 0.00e+00 5.005 0.002 302.00 328.00 3 6.6417e-01 2.9915e-03 7.2057e-02 -6.0000e+00 1.3011e+00 2.8283e-01 4.4900e-03 5.3067e-02 -6.0000e+00 1.4089e+00 -3.8090e-01 4.9321e-03 3.2294e-02 -6.0000e+00 8.3737e-01 1.5262e-01 2.2714e-03 1.4563e-02 -6.0000e+00 3.5464e-01 6.3089e-04 -8.9744e-04 3.8415e-05 2.0050e-04 -6.0000e+00 2.5851e-02 4.2360e-04 -6.3363e-05 12 8 8 10 0 0 60.73 21.60 0.19 0.00042 -0.00632 305 73 1 5 0 158.590 26.00 20.01 21.60 8.27 38.3 958.85 -299516 -243340 -281085 -263201 -358580 -269637 -273986 -252466 -258357 -245899 -232967 -196158 -179878 -151303 -119995 -118599 -106066 -76694 -81553 -78635 -71466 -61687 -53898 -78770 -66703 -70504 -62238 -68185 -57846 -70127 -26127 -24039 -1680 -10086 -11888 -22386 -7368 -7418 11757 4291 11080 2199 13633 335 11150 8514 13191 11961 12196 7486 17587 -16826 16059 13572 13170 9555 10442 6860 8958 7284 8492 8869 10961 10387 10834 6081 7418 4670 6046 4954 4091 4159 2357 853 203 -38 142 -1933 -817 351 -1103 -37 -1645 -1721 -835 -669 1 330 1062 1037 -441 -766 -2151 -1428 -1011 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