File name: Pandora64s1_NewHavenCT_20250219_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250227T165022.7Z 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 v1.8.74 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250219_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: 20250219 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 20250219T122221.0Z 9181.515521 267 1 16.20 2 83.34 111.11 72.54 217.55 0.00 1 0.00 1 0 17 6.436e-01 4.543e-02 3.237e-01 2.347e-02 1.033247e+00 1.378067e-02 1.262071e-02 -6.000000e+00 3.853712e-01 225.05 -2.00 3.52 -2.00 321.98 0.00e+00 3.921582e-02 5.300334e-03 4.049602e-03 -6.000000e+00 1.666307e-02 275.24 -2.00 20.00 -2.00 321.57 0.00e+00 7.851 0.009 302.00 328.00 3 9.6654e-01 4.5175e-02 1.1146e-01 -6.0000e+00 9.5421e-01 2.0733e+00 5.1270e-02 1.1046e-01 -6.0000e+00 1.0353e+00 -2.5603e+00 3.0507e-02 2.6033e-02 -6.0000e+00 6.1445e-01 1.0315e+00 1.7206e-02 3.6644e-02 -6.0000e+00 2.6097e-01 1.9888e-05 -2.7851e-03 5.8811e-04 5.2088e-04 -6.0000e+00 1.9121e-02 -2.6102e-03 9.2798e-05 12 9 9 12 1 1 -61.47 21.20 0.10 -0.00261 -0.02354 8 6 1 5 0 1798.560 25.68 20.00 21.20 -2.05 36.3 908.77 240740 219480 156794 225002 -61612 91156 48079 59474 32495 10260 -75281 105267 64221 159448 97759 141581 129463 121936 124650 123599 120261 157221 123357 53014 -9221 45551 -37040 28974 27972 -63690 63969 61599 32234 67234 59668 11957 27609 34354 80215 68717 84221 12517 73022 -17647 33382 -5523 164514 23072 67969 -26199 88746 900000 123607 43624 104959 5724 26160 29036 118361 13333 5119 30998 24692 -6318 91035 17971 32549 53448 32173 5682 19560 31578 24829 -11279 4458 -61 30446 -12781 -20201 20251 3496 10638 1042 642 7381 -2340 -160 1356 7443 -3336 -1120 -988 -19162 -15905 -6707 942 -8183 4426 -217 1082 -2022 -588 -11424 1222 -9741 -4516 -8510 6109 -6111 2079 -1925 -606 -1728 1272 -3459 -3836 -685 476 905 2326 1655 6005 4887 5999 4139 2428 -1422 2919 787 1542 1063 -1164 -565 186 -66 751 556 -281 1427 -415 -1592 -3755 6540 7531 8862 5469 -16617 4822 2782 2551 1487 499 -7598 2408 2938 4134 5591 6073 6664 6974 6594 6008 5158 4076 3763 2501 -672 1806 -2913 1237 1240 -8228 3201 3699 2857 4037 3327 992 1934 2309 3792 3773 3982 1145 4009 -2137 2625 -663 4301 2309 4567 -4513 5955 900000 6409 4803 6403 835 2917 2906 4874 1468 651 3457 3389 -1267 7679 2950 5073 7030 5412 1369 4211 5907 4577 -2656 835 -11 4005 -2717 -5654 4633 1106 3565 412 250 2990 -1020 -70 587 3155 -1412 -460 -394 -8865 -8025 -3716 588 -6677 3712 -194 942 -1768 -444 -8711 828 -7799 -3587 -7657 5287 -6556 2400 -2633 -878 -2592 1838 -5126 -5681 -1023 737 1456 3672 2499 8170 6490 7620 5242 3093 -1908 4263 1330 2990 2334 -2705 -1407 491 -187 2155 1601 -817 3947 -1085 -3872 -9055 SS 20250219T124733.6Z 9181.533028 275 1 48.39 2 78.98 115.56 75.57 222.61 0.00 1 0.00 1 0 25 5.822e-01 1.068e-02 4.506e-02 1.297e-03 7.725229e-01 7.249213e-04 8.737004e-03 -6.000000e+00 3.480830e-01 225.05 -2.00 3.52 -2.00 321.04 0.00e+00 4.906578e-03 3.211784e-04 1.546591e-03 -6.000000e+00 1.504878e-02 275.24 -2.00 20.00 -2.00 320.59 0.00e+00 5.048 0.002 302.00 328.00 3 6.3102e-01 2.2835e-03 6.4805e-02 -6.0000e+00 8.6130e-01 1.6044e-01 3.1438e-03 4.1648e-02 -6.0000e+00 9.3450e-01 -1.7004e-01 3.3634e-03 2.4446e-02 -6.0000e+00 5.5534e-01 6.0459e-02 1.6254e-03 1.0433e-02 -6.0000e+00 2.3556e-01 7.8428e-04 -7.8419e-04 3.6120e-05 1.3062e-04 -6.0000e+00 1.7296e-02 3.5478e-04 -9.5338e-05 12 8 8 10 0 0 59.01 21.21 0.20 0.00035 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-128 -239 95 -642 -273 -212 117 -142 223 158 282 161 101 256 644 669 702 518 471 843 1332 1256 1042 837 784 623 502 708 578 758 764 1229 1175 1197 50 723 135 969 902 744 616 206 -24 -143 -1065 -190 -1035 -57 -202 -498 -915 -1154 -1576 -358 -739 587 283 924 180 -32 -324 -873 -894 175 -192 -413 931 583 -555 -681 -1665 -2199 222 362 -1676 -1031 -845 -556 347 841 -89 2 -21 -565 -55 788 232 1629 1383 96 9 1298 647 1494 880 -2094 814 1459 652 622 -1151 -1616 -851 827 -312 -1123 1359 1011 -564 124 -1723 SS 20250219T125321.8Z 9181.537058 278 1 48.38 2 78.00 116.62 76.31 223.73 0.00 1 0.00 1 0 17 4.402e-01 8.758e-03 3.929e-02 1.096e-03 7.205774e-01 6.024366e-04 8.171452e-03 -6.000000e+00 2.632187e-01 225.05 -2.00 3.52 -2.00 320.74 0.00e+00 3.372869e-03 2.494628e-04 1.132124e-03 -6.000000e+00 1.137914e-02 275.24 -2.00 20.00 -2.00 320.27 0.00e+00 4.667 0.002 302.00 328.00 3 8.0332e-01 1.8604e-03 5.9963e-02 -6.0000e+00 6.5131e-01 1.0277e-01 2.4716e-03 3.8394e-02 -6.0000e+00 7.0665e-01 -8.8045e-02 2.5605e-03 2.1623e-02 -6.0000e+00 4.1994e-01 2.4140e-02 1.2599e-03 8.4772e-03 -6.0000e+00 1.7814e-01 1.0064e-03 -6.0688e-04 3.0966e-05 1.0357e-04 -6.0000e+00 1.3079e-02 -1.3337e-05 -9.0529e-05 11 8 0 10 0 0 87.34 21.21 0.19 -0.00001 -0.00457 308 74 1 5 0 157.060 25.68 19.98 21.21 -0.02 36.4 917.26 -163539 -140061 -148074 -129682 -228156 -136386 -147727 -112530 -122548 -88787 -129918 -84141 -89981 -61946 -49881 -38367 -38548 -28607 -23288 -17359 -26399 -18613 -19205 -24966 -23427 -18909 -19784 -23830 -20655 -24939 -6914 -6552 -1730 -6003 -8607 -5840 -4078 -3299 1325 1188 2927 392 2469 -441 3016 2715 4312 2792 4470 1665 5868 4595 4763 3736 2884 1834 2016 393 1324 615 1498 2365 3135 3022 2497 -297 835 -392 1786 1854 911 1050 -333 125 -803 -1753 -1057 -2260 -709 -532 -1457 -796 -1940 -1808 -740 -465 448 365 1309 681 54 198 -870 -312 372 217 -378 1083 450 -254 -556 -1628 -1928 411 69 -1383 -549 -715 -301 440 557 72 18 25 -290 -126 550 116 863 523 -67 -218 758 314 881 412 -1324 425 851 152 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