File name: Pandora64s1_NewHavenCT_20231207_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240113T152933.4Z 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_20231207_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: 20231207 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 20231207T125838.5Z 8741.540723 246 1 7.53 2 82.35 129.38 45.47 191.23 0.00 1 0.00 1 0 17 4.656e-01 3.276e-02 3.949e-01 2.206e-02 9.383974e-01 1.293213e-02 1.072210e-02 -6.000000e+00 2.796658e-01 222.84 -2.00 3.52 -2.00 321.82 0.00e+00 -6.486591e-04 6.673926e-03 6.460847e-03 -6.000000e+00 1.301255e-02 277.79 -2.00 20.00 -2.00 321.38 0.00e+00 6.985 0.006 302.00 328.00 3 1.5533e+00 4.5725e-02 9.2395e-02 -6.0000e+00 6.9039e-01 1.0654e+00 5.9010e-02 6.8534e-02 -6.0000e+00 7.5256e-01 -1.3739e+00 5.0470e-02 3.1754e-02 -6.0000e+00 4.4745e-01 5.5659e-01 2.4248e-02 8.5983e-03 -6.0000e+00 1.8953e-01 3.7589e-05 -1.3617e-03 5.9962e-04 1.6080e-04 -6.0000e+00 1.3925e-02 -5.6089e-03 -1.2166e-04 12 9 9 12 1 1 14.53 21.65 0.19 -0.00561 -0.01584 4 8 1 5 0 1505.250 26.11 20.00 21.65 5.00 35.8 927.94 35258 66638 -14193 88534 52456 49253 -108519 -174130 -136905 900000 -105280 -46582 -89015 5834 -40144 900000 -42257 900000 -32438 900000 -45186 97185 160179 900000 -18085 33750 -37777 177681 -23635 -98846 -23717 31002 24999 1814 -3379 -18297 134329 -30985 39993 13286 86078 44211 53872 19543 64618 23207 97959 35642 27767 2399 68414 61375 118725 24988 38067 19812 41641 25397 52199 67569 12449 -2823 29667 10563 45192 15097 9629 11642 31041 13428 24065 -1769 10645 2653 11578 -4600 30618 -8735 -2953 5230 3067 -14222 -6367 -4669 5413 1574 6649 4485 4775 4388 -11085 -617 -6025 -512 -6079 -128 -3623 1090 -678 -2207 -5382 -2066 -5477 -2917 -4841 -4376 -3691 971 -3054 -236 1167 735 -225 110 -2978 238 605 870 59 4039 -183 2449 2214 2933 1960 1946 -822 3806 -253 978 367 85 -1757 859 603 -877 -1240 1903 1807 -237 -1604 -3213 758 1432 -305 1903 1127 1058 -3239 -10602 -6047 900000 -3645 -1119 -3826 125 -1534 900000 -1967 900000 -1433 900000 -2104 2088 3442 900000 -732 811 -1767 3818 -896 -8497 -1229 1058 1011 92 -167 -1064 2887 -2478 1972 920 3264 2627 2928 1458 3022 1643 3552 2388 2141 246 4324 4577 5403 2953 4090 2625 4424 3032 4751 5125 1605 -472 4073 1967 6151 2776 1966 2357 6189 3387 5743 -548 2745 675 2530 -1076 5044 -2203 -835 1633 1141 -6846 -3065 -2338 2605 820 3393 2342 2432 2121 -5896 -305 -3075 -277 -4089 -96 -3107 1017 -680 -2188 -5094 -1767 -4508 -2416 -4348 -3896 -3539 980 -3668 -302 1656 1108 -348 167 -4514 345 901 1346 96 6273 -283 3500 3077 4090 2697 2627 -1152 5472 -442 1838 772 184 -4185 2138 1539 -2334 -3331 4965 4761 -593 -3781 -7197 SS 20231207T130916.2Z 8741.548104 249 1 48.17 2 80.83 131.32 45.95 194.81 0.00 1 0.00 1 0 25 5.245e-01 2.064e-02 9.642e-02 2.809e-03 8.168372e-01 1.583591e-03 9.641373e-03 -6.000000e+00 3.112269e-01 222.84 -2.00 3.52 -2.00 321.42 0.00e+00 1.474187e-02 7.853084e-04 2.600667e-03 -6.000000e+00 1.370272e-02 277.79 -2.00 20.00 -2.00 320.97 0.00e+00 5.958 0.004 302.00 328.00 3 1.0292e+00 5.3841e-03 7.3434e-02 -6.0000e+00 7.6567e-01 4.5198e-01 7.3652e-03 4.4514e-02 -6.0000e+00 8.3136e-01 -5.8538e-01 7.4098e-03 2.9355e-02 -6.0000e+00 4.9564e-01 2.4504e-01 3.4998e-03 1.8374e-02 -6.0000e+00 2.1190e-01 2.0149e-04 -1.4959e-03 7.7063e-05 2.5903e-04 -6.0000e+00 1.5575e-02 -3.8899e-03 -5.0576e-05 12 9 8 11 8 0 91.02 21.70 0.12 -0.00389 -0.01513 114 27 1 5 0 422.520 26.11 19.98 21.70 5.85 36.1 933.01 -153956 -118993 -65334 -144652 -307473 -159096 -143110 -207350 -139181 -141608 -174723 -99191 -100376 -89991 -62955 -9513 -11709 15843 -25990 4047 -42178 31784 -6710 6255 -44699 -20313 -49210 568 -34525 -26245 -7427 36095 12386 21811 664 17365 -3975 27960 18020 19013 17689 22848 17696 12353 18122 28484 26774 24067 18612 10445 24126 29653 23118 19951 17959 10482 8544 9787 7426 8064 11165 10059 12379 14767 13944 7454 6985 5804 8596 6930 4853 3473 3674 1358 837 -1802 3390 -3462 -387 624 63 -3904 -2514 -3317 -1556 -2404 -884 -763 1012 -114 -846 -1918 -3533 -3826 -1877 -1724 -1141 79 592 -406 -571 -1872 -2937 -963 -412 -2378 -1416 -1201 -1057 16 305 -73 -189 -120 -644 -453 360 131 1159 1246 660 904 1644 1580 1989 1658 -1039 520 1358 650 797 27 -515 -42 354 -99 -723 185 333 -376 -427 -1526 -1878 -1155 -429 -1765 -15930 -1981 -1532 -4388 -1559 -1692 -3132 -1062 -1500 -1636 -1129 -121 -172 197 -518 61 -998 383 -110 92 -1102 -400 -1299 10 -860 -725 -216 809 407 668 24 545 -171 1016 852 1018 1044 1365 1181 895 1286 1908 1920 1906 1534 1027 2340 3012 2723 2609 2464 1581 1316 1450 1098 1202 1733 1795 2483 3266 3230 1698 1666 1483 2416 2228 1685 1236 1243 434 243 -492 880 -1047 -135 258 31 -2079 -1423 -2002 -985 -1609 -605 -526 676 -73 -514 -1140 -2158 -2583 -1452 -1567 -1117 87 685 -462 -603 -1788 -2836 -880 -398 -2450 -1561 -1444 -1344 24 480 -121 -313 -193 -1005 -694 565 215 1970 2123 1090 1417 2484 2297 2804 2291 -1478 809 2276 1235 1574 58 -1172 -95 858 -248 -1840 471 824 -878 -988 -3369 SS 20231207T133345.0Z 8741.565104 264 1 47.81 2 77.50 135.97 47.51 202.79 0.00 1 0.00 1 0 25 3.387e-01 2.172e-02 1.276e-01 6.307e-03 6.258660e-01 3.424440e-03 7.716546e-03 -6.000000e+00 2.004529e-01 222.84 -2.00 3.52 -2.00 320.52 0.00e+00 7.599054e-03 1.253018e-03 2.694746e-03 -6.000000e+00 8.853992e-03 277.79 -2.00 20.00 -2.00 319.98 0.00e+00 4.493 0.002 302.00 328.00 3 4.0363e+00 1.0190e-02 5.5781e-02 -6.0000e+00 4.9308e-01 3.7287e-01 1.2464e-02 3.3929e-02 -6.0000e+00 5.3591e-01 -3.6993e-01 1.0623e-02 1.9012e-02 -6.0000e+00 3.1948e-01 1.4598e-01 5.3712e-03 7.1165e-03 -6.0000e+00 1.3619e-01 4.7345e-05 -4.2056e-03 1.8393e-04 1.1438e-04 -6.0000e+00 1.0066e-02 4.5078e-03 -4.7191e-04 12 8 8 10 0 0 99.99 21.64 -0.12 0.00451 -0.02709 16 4 1 5 0 2987.960 26.11 20.01 21.64 6.38 36.2 934.05 -116794 -98400 -72259 -130810 9741 -107897 -110071 -142132 149304 -59192 -96444 -47661 -55019 -72277 6175 -37777 -14987 -14963 22216 983 25204 17090 75823 29276 4031 -16565 -19169 -18267 17954 -62546 -8837 -11150 21853 9888 6153 22727 15733 3521 8121 3368 10341 12697 9717 -3260 6505 12290 11384 6497 9608 -10361 19235 -2906 20109 5151 5935 7901 5015 1632 3316 5446 1714 9430 8476 8681 10444 567 472 8126 2549 5538 4403 2491 -101 -1893 -5124 -1930 5421 -3718 -6158 -191 -1358 -8394 -2264 -2200 -1766 -1801 317 -210 1148 340 -2635 -1161 -4451 -3734 -1013 1471 -427 620 1285 -644 -1404 -2209 -4497 -1177 -1637 -2893 -1038 2211 -423 293 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