File name: Pandora64s1_NewHavenCT_20241218_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241219T050040.9Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241218_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: 20241218 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 20241218T125947.4Z 9118.541520 297 1 48.73 2 83.60 129.10 68.12 280.46 0.00 1 0.00 1 0 25 6.245e-01 4.392e-02 2.025e-01 1.376e-02 8.816425e-01 7.955781e-03 1.177132e-02 -6.000000e+00 3.711536e-01 222.83 -2.00 3.52 -2.00 321.76 0.00e+00 5.904929e-02 3.319121e-03 6.570026e-03 -6.000000e+00 1.656345e-02 276.64 -2.00 20.00 -2.00 321.33 0.00e+00 8.111 0.010 302.00 328.00 3 8.7713e-01 2.6180e-02 1.2748e-01 -6.0000e+00 9.1558e-01 1.8706e+00 2.9009e-02 1.4865e-01 -6.0000e+00 9.9524e-01 -2.1897e+00 1.7005e-02 2.2525e-02 -6.0000e+00 5.9084e-01 8.8344e-01 9.4710e-03 5.2790e-02 -6.0000e+00 2.5183e-01 1.9047e-05 -5.5316e-03 3.6013e-04 7.1011e-04 -6.0000e+00 1.8574e-02 -6.4297e-04 -5.4116e-05 12 8 8 10 0 0 97.04 21.16 0.29 -0.00064 -0.04221 29 7 1 5 0 1680.180 25.68 19.98 21.16 9.25 38.3 950.74 203156 144111 179486 146732 -68436 68246 73105 74831 900000 47334 -47522 26968 27369 50566 121348 98156 131972 171783 109251 158142 224625 307807 149218 69468 16987 33338 -21331 38596 41869 -62582 19567 90730 74318 95739 76311 55363 57885 27208 10189 54567 25470 44213 23025 -13208 32128 61684 63682 51151 53206 8306 70251 45604 95495 30991 36924 13601 21607 1127 20618 21067 1051 31234 30897 5196 59383 14893 26537 29276 30170 13463 15393 11964 1787 -10888 -6634 -12986 32064 -8204 -1711 1965 -954 -7641 443 -7064 -1007 -7958 1720 -6218 5815 -2883 -5597 -2272 -13672 -17488 -8564 -5802 -5196 -360 2183 1938 1988 1883 -6464 -3084 -5878 -5351 -5900 4365 -3187 -908 394 -2166 -1502 403 -800 -2583 -1687 357 868 5029 1766 4309 3235 5507 2116 3814 -1683 3299 1012 1924 758 -190 162 160 -417 -359 -290 114 966 -846 -705 -3058 6414 8987 7792 7413 -20058 4148 2943 2259 900000 1151 -2551 905 1400 2914 4987 5888 6641 6195 6813 5968 4019 4130 3379 2622 841 1202 -1252 1295 1580 -8151 1625 4490 4862 4978 4160 3390 3350 2122 948 3295 2051 3004 2066 -1699 2964 4553 4914 4805 5132 1239 6422 5622 7288 4257 4769 1922 2773 164 2386 2509 158 4244 4898 1144 8516 3092 4964 5431 5977 3464 3998 3164 487 -3025 -1566 -2952 4894 -1936 -459 624 -363 -3315 190 -3370 -474 -4176 848 -3361 2761 -1429 -2658 -1055 -6697 -9752 -5184 -4144 -4405 -340 2066 1818 1828 1532 -5161 -2384 -4960 -4691 -5625 4142 -3522 -1131 545 -3269 -2279 590 -1150 -3739 -2515 549 1397 7857 2745 6190 4535 7297 2821 4934 -2297 4767 1759 3607 1606 -440 398 417 -1107 -983 -797 316 2588 -2274 -1758 -7275 SS 20241218T131025.0Z 9118.548901 300 1 48.43 2 82.07 131.02 70.04 281.97 0.00 1 0.00 1 0 25 3.692e-01 2.749e-02 1.162e-01 4.782e-03 7.921282e-01 2.706795e-03 9.589713e-03 -6.000000e+00 2.189397e-01 222.83 -2.00 3.52 -2.00 321.61 0.00e+00 2.651297e-02 1.326092e-03 8.843648e-04 -6.000000e+00 9.598226e-03 276.64 -2.00 20.00 -2.00 321.17 0.00e+00 6.773 0.006 302.00 328.00 3 1.0617e+00 9.1591e-03 8.2144e-02 -6.0000e+00 5.3882e-01 7.9152e-01 1.1573e-02 5.8005e-02 -6.0000e+00 5.8533e-01 -1.0719e+00 1.0361e-02 2.5669e-02 -6.0000e+00 3.4872e-01 4.5564e-01 5.0118e-03 2.6355e-02 -6.0000e+00 1.4880e-01 8.7879e-05 -2.8155e-03 1.3472e-04 3.5556e-04 -6.0000e+00 1.0964e-02 -2.0342e-04 -9.8215e-05 12 8 8 10 0 0 18.74 21.17 0.18 -0.00020 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-292 -544 -502 403 -2929 1066 1516 2030 1482 1554 872 1924 1378 2325 1875 2693 1351 2463 664 2688 2305 3251 2581 2878 1477 4053 1926 5069 3571 4259 2711 2620 860 2455 1971 2134 2191 4046 2500 5284 2998 3026 3653 3165 3680 2664 3014 1080 1150 49 -140 1634 -526 -458 1173 -523 -881 -1635 -1751 -1728 -1644 -1460 -590 59 226 -1674 -1043 -4335 -3601 -3314 -2119 -3038 271 -66 52 -473 -390 -3482 -1341 -2741 -2800 -3104 -1548 -2288 -714 -1138 -1647 -1165 -135 -1223 -1439 685 -425 2874 3650 2911 3178 4316 3465 3688 2294 -665 1899 3650 1758 2850 110 286 -585 1661 -882 -2288 -39 288 -2051 -771 -5079 SS 20241218T132139.0Z 9118.556702 303 1 48.27 2 80.50 133.09 72.05 283.57 0.00 1 0.00 1 0 25 5.136e-01 1.314e-02 8.497e-02 2.267e-03 7.156514e-01 1.262872e-03 8.239102e-03 -6.000000e+00 3.045501e-01 222.83 -2.00 3.52 -2.00 321.15 0.00e+00 7.760040e-03 5.844938e-04 1.347032e-03 -6.000000e+00 1.335220e-02 276.64 -2.00 20.00 -2.00 320.68 0.00e+00 5.776 0.003 302.00 328.00 3 9.9804e-01 4.1100e-03 6.8673e-02 -6.0000e+00 7.4951e-01 1.7934e-01 5.5647e-03 3.8682e-02 -6.0000e+00 8.1422e-01 -2.3096e-01 5.7475e-03 2.3085e-02 -6.0000e+00 4.8508e-01 9.0957e-02 2.7658e-03 1.1423e-02 -6.0000e+00 2.0698e-01 2.9940e-04 -1.3552e-03 6.5923e-05 1.4567e-04 -6.0000e+00 1.5251e-02 -2.3388e-04 -1.1578e-04 12 9 8 11 8 0 0.78 21.17 0.17 -0.00023 -0.01042 158 38 1 5 0 305.460 25.68 19.98 21.17 10.38 38.3 955.77 -158854 -198940 -106537 -200547 -278307 -205562 -99517 -183387 -61559 -161532 -117219 -121394 -26494 -68870 -32173 -50395 -18460 -35208 -10607 -26027 -27680 -7314 -7552 -26124 -22539 -18390 -22906 -23033 -17909 -37320 -2807 -3828 -2374 8312 -4656 3760 4857 6836 5127 8523 4707 10475 2598 7605 8023 10300 9735 14305 2732 5132 7219 4760 10522 8173 5239 5901 1490 6008 2280 4276 677 5881 4341 6387 4099 3045 2540 2956 2665 4124 2147 2053 1455 634 -1347 -2085 482 -2885 -876 117 -1082 -187 -1543 -2669 -1164 -1276 125 -510 968 282 -388 -846 -1874 -2015 -488 -541 -279 778 497 -565 129 -1465 -2336 -436 73 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