File name: Pandora64s1_NewHavenCT_20231201_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231202T044640.1Z 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_20231201_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: 20231201 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 20231201T124342.2Z 8735.530350 295 1 49.06 2 83.58 126.61 57.13 275.94 0.00 1 0.00 1 0 33 7.589e-01 5.141e-02 2.067e-01 1.387e-02 8.625044e-01 7.957474e-03 1.190785e-02 -6.000000e+00 4.500343e-01 222.93 -2.00 3.52 -2.00 321.69 0.00e+00 6.733444e-02 3.120069e-03 9.606429e-03 -6.000000e+00 2.077417e-02 278.45 -2.00 20.00 -2.00 321.24 0.00e+00 8.095 0.010 302.00 328.00 3 8.4946e-01 2.5703e-02 1.4650e-01 -6.0000e+00 1.1078e+00 1.9383e+00 2.8635e-02 1.8430e-01 -6.0000e+00 1.2034e+00 -2.2807e+00 1.5957e-02 2.1655e-02 -6.0000e+00 7.1703e-01 9.2400e-01 9.0973e-03 6.2921e-02 -6.0000e+00 3.0697e-01 1.9501e-05 -6.6950e-03 3.6260e-04 7.6437e-04 -6.0000e+00 2.2661e-02 2.7612e-04 -1.6941e-04 12 8 8 10 0 0 52.04 21.45 0.33 0.00028 -0.05003 32 8 1 5 0 1533.040 25.90 20.01 21.45 12.02 37.2 961.46 176746 286908 204308 244479 -51485 186905 61975 20456 32346 900000 -59057 76529 -5249 31155 69965 219582 133380 241649 125303 227141 121681 277018 117179 147700 3162 34347 -17216 5715 1180 -42737 34860 145375 85976 94713 111069 41592 75410 62823 81851 22736 48837 45355 52685 -3055 73308 54882 93779 41178 86201 -5253 98112 85043 163317 19478 58889 -2746 21662 -9268 46912 747 32295 9059 66272 31141 84186 12284 34458 45474 36642 12354 27589 5876 12322 -6548 -4854 -18557 30148 -14578 827 4141 9270 -22051 -4976 -4672 -2535 -151 -504 986 -90 6198 -6138 -6362 -19716 -13304 -10749 -534 -8581 338 2240 3748 2868 3981 -8900 -628 -8505 -3647 -8033 6574 -5329 -1073 -1720 -590 -1272 -213 -3024 -2632 -1964 1639 -1187 5285 2061 5841 1522 8363 4164 3413 -2832 2936 1612 2946 777 146 -343 -206 680 -705 -198 149 1203 -684 -1244 -3682 11033 6567 10628 7122 -18615 5477 3869 1319 1346 900000 -4239 1898 -426 2723 5750 5445 8048 5719 8604 5632 6836 3747 4490 2996 203 1355 -1067 296 76 -5158 2684 4915 5911 5871 5007 3375 4165 3824 4059 2024 3303 3220 3741 -375 4875 4763 5919 4734 6606 -967 7409 7668 6811 3141 6438 -466 2857 -1417 4283 104 3931 1489 7768 5475 9963 2709 6130 7333 6900 3252 6401 1663 3038 -1751 -1131 -4479 4791 -3670 217 1293 3202 -10907 -2387 -2304 -1282 -77 -268 525 -48 2986 -3116 -3078 -10810 -7460 -6469 -353 -7361 311 2203 3599 2585 3138 -7188 -466 -7246 -3093 -7698 6008 -6245 -1388 -2351 -848 -1863 -303 -4291 -3944 -2836 2409 -1891 8015 3116 8644 2270 11263 5680 4629 -4074 4416 2692 5565 1676 342 -860 -513 1785 -1935 -544 412 3221 -1756 -3183 -9003 SS 20231201T130356.7Z 8735.544406 301 1 48.39 2 80.61 130.28 60.83 278.84 0.00 1 0.00 1 0 25 4.898e-01 1.560e-02 7.576e-02 2.505e-03 7.032277e-01 1.389594e-03 8.278478e-03 -6.000000e+00 2.906547e-01 222.93 -2.00 3.52 -2.00 321.16 0.00e+00 9.514017e-03 6.553017e-04 2.203482e-03 -6.000000e+00 1.282937e-02 278.45 -2.00 20.00 -2.00 320.68 0.00e+00 5.833 0.004 302.00 328.00 3 1.1259e+00 4.5731e-03 6.8837e-02 -6.0000e+00 7.1502e-01 2.0344e-01 6.1229e-03 3.7788e-02 -6.0000e+00 7.7635e-01 -2.9247e-01 6.1378e-03 2.3693e-02 -6.0000e+00 4.6300e-01 1.2026e-01 2.9473e-03 1.2269e-02 -6.0000e+00 1.9793e-01 2.5326e-04 -1.4213e-03 7.2488e-05 1.7218e-04 -6.0000e+00 1.4547e-02 -1.8806e-03 -8.4271e-05 12 8 8 10 0 0 60.70 21.46 0.19 -0.00188 -0.01256 141 34 1 5 0 343.140 26.00 19.99 21.46 13.51 37.2 968.19 -156550 -159349 -146544 -155019 -284363 -177994 -131234 -167283 -107754 -142296 -101371 -98502 -50820 -83384 -36774 -27020 -19720 -10160 -6900 -19898 -15138 -1445 -2037 -19453 -10503 -16494 -22484 -20729 -7864 -37720 -4802 3831 13952 10644 -185 -5576 -2068 4966 13313 5951 12413 10420 15575 4938 9091 11979 14067 14169 7932 6552 11339 12872 11520 10110 7863 5705 2532 4023 4384 3997 3608 5394 6481 7756 7255 4053 4025 3938 4109 4180 2250 2613 1174 1066 -1370 -1924 188 -3010 -1756 602 -2239 -2340 -2112 -2964 -1366 -1294 57 -361 1025 835 -845 -1231 -2512 -2153 -1099 -380 -928 658 635 -337 -153 -1797 -3076 -579 -275 -1936 -974 -723 -360 471 771 169 141 -46 -351 -823 451 93 916 817 155 389 1321 867 1570 858 -920 595 1169 351 531 -444 -527 -404 526 -268 -459 372 460 -365 35 -1293 -1911 -2257 -1932 -2082 -11805 -2825 -1378 -2737 -1053 -2085 -1064 -1251 -534 -1588 -557 -442 -337 -176 -123 -423 -307 -25 -38 -451 -231 -399 -582 -526 -186 -1409 -159 137 518 418 -8 -260 -95 252 745 414 885 810 1217 441 805 1072 1283 1371 870 797 1483 1832 1808 1737 1312 1003 465 715 762 709 689 1143 1545 2033 1959 1116 1144 1181 1393 1596 930 1096 480 407 -487 -632 60 -1058 -714 283 -1156 -1370 -1326 -1993 -969 -966 43 -282 779 604 -583 -820 -1694 -1572 -915 -339 -956 754 762 -397 -167 -1802 -2959 -568 -287 -2147 -1152 -926 -478 695 1239 264 235 -74 -542 -1253 700 151 1458 1317 260 627 2054 1300 2274 1219 -1327 930 1936 652 1075 -905 -1139 -928 1208 -641 -1113 903 1096 -877 79 -2827 SS 20231201T131402.5Z 8735.551418 307 1 48.39 2 79.18 132.17 62.66 280.26 0.00 1 0.00 1 0 25 3.798e-01 1.033e-02 4.650e-02 1.479e-03 6.351932e-01 8.098260e-04 7.361979e-03 -6.000000e+00 2.253978e-01 222.93 -2.00 3.52 -2.00 320.72 0.00e+00 3.108028e-03 3.393638e-04 1.054108e-03 -6.000000e+00 9.948252e-03 278.45 -2.00 20.00 -2.00 320.20 0.00e+00 5.132 0.002 302.00 328.00 3 1.0045e+00 2.5325e-03 6.0805e-02 -6.0000e+00 5.5449e-01 4.4987e-02 3.3023e-03 3.3720e-02 -6.0000e+00 6.0201e-01 -7.6911e-02 3.2352e-03 1.8507e-02 -6.0000e+00 3.5902e-01 2.6639e-02 1.5913e-03 6.7701e-03 -6.0000e+00 1.5351e-01 6.1567e-04 -9.4117e-04 4.3945e-05 8.6964e-05 -6.0000e+00 1.1279e-02 -2.3270e-03 -5.5647e-05 12 8 8 10 0 0 71.49 21.47 0.21 -0.00233 -0.00940 238 57 1 5 0 203.300 26.00 19.99 21.47 14.62 37.6 973.46 -106972 -128321 -92937 -139709 -213861 -141402 -85864 -144140 -49060 -124501 -58416 -94565 -28899 -70415 -7230 -47542 -4409 -31549 -511 -24635 1449 -25267 12309 -29966 -2728 -29293 -371 -28822 -5572 -26879 4500 -6223 5288 -4765 1007 -9420 2700 -6313 4620 2818 3961 1944 5506 1492 5210 4577 5729 4000 2646 1509 4817 3980 4997 4223 2055 3176 1070 2037 304 1868 488 3634 1763 5028 1839 1132 294 788 661 2837 319 1881 -702 1136 -1620 -938 -1473 -2050 -1499 -288 -2262 -1114 -2530 -2040 -1067 -158 183 769 900 987 -133 159 -1409 -497 480 130 -617 1081 722 -315 -186 -1904 -2253 -63 407 -1570 -484 -801 -146 378 967 218 313 -97 -215 -554 595 -274 956 230 155 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