File name: Pandora64s1_NewHavenCT_20231114_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231115T044335.1Z 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_20231114_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: 20231114 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 20231114T122047.6Z 8718.514439 65 1 48.94 2 83.78 120.98 98.12 116.61 0.00 1 0.00 1 0 33 7.023e-01 4.739e-02 1.954e-01 1.394e-02 9.723250e-01 8.200087e-03 1.345751e-02 -6.000000e+00 4.176019e-01 223.25 -2.00 3.52 -2.00 321.89 0.00e+00 5.893643e-02 3.297230e-03 4.725937e-03 -6.000000e+00 1.854558e-02 280.34 -2.00 20.00 -2.00 321.45 0.00e+00 8.295 0.011 302.00 328.00 3 4.8138e-01 2.7531e-02 1.2588e-01 -6.0000e+00 1.0274e+00 2.2025e+00 3.0771e-02 1.4628e-01 -6.0000e+00 1.1145e+00 -2.5275e+00 1.6482e-02 2.4257e-02 -6.0000e+00 6.6526e-01 9.7762e-01 9.5910e-03 5.2585e-02 -6.0000e+00 2.8501e-01 2.0102e-05 -4.5795e-03 3.5343e-04 7.7239e-04 -6.0000e+00 2.0855e-02 -5.2281e-03 4.9294e-05 12 8 8 10 0 0 97.19 21.21 0.39 -0.00523 -0.03964 39 9 1 5 0 1254.800 25.79 19.98 21.21 9.37 36.7 946.59 167844 211998 226400 231546 -51086 116009 37666 14750 29970 -12785 -27736 38860 18440 128251 109652 155447 99972 213624 132325 134089 110915 309499 182188 73545 3389 44207 -41409 2430 19236 -68510 90606 123002 81527 73323 94301 59076 111845 9782 59982 41483 83022 22187 65888 -23399 73052 51795 68759 26795 90985 574 87198 108103 136526 34502 66596 21394 26126 -8002 40566 -3408 35263 -2851 34208 29373 81464 8087 44501 46823 26756 27594 24050 17275 11448 -6809 -13250 -7903 44457 -16307 -10581 4831 5038 -23976 -3373 -1059 689 -3126 1600 -746 1353 269 -8930 -5124 -19726 -13169 -9005 -236 -3720 1474 3373 4254 1884 -2590 -9174 -1799 -6219 -7088 -7584 1813 -4657 1457 -318 -341 -1547 938 -3319 -2549 -585 635 959 3017 2330 5374 2165 5742 3253 3245 -1364 2215 1620 882 430 126 328 -879 453 -286 -846 -176 1240 -473 -828 -2366 11407 9955 8953 7153 -18055 6021 2932 1021 1333 -695 -1577 1393 1230 4279 5962 6531 8030 6388 7849 7125 6305 4207 3467 3099 201 1622 -3019 129 994 -9990 4064 4849 5430 5183 4615 3694 3953 858 3506 2932 3837 1900 3851 -3181 4369 4083 4860 2814 5813 86 6519 6906 6681 4263 6156 2591 3054 -1098 3584 -434 3643 -451 4789 4501 8637 1609 6269 7256 4959 5558 5141 3864 2504 -1590 -2898 -1475 5378 -3647 -2733 1319 1606 -11584 -1421 -450 300 -1464 736 -354 620 119 -4039 -2140 -9604 -6656 -5230 -153 -2756 1217 2977 3682 1547 -1954 -6619 -1309 -4593 -5516 -6435 1555 -4906 1682 -425 -490 -2292 1342 -4835 -3659 -857 968 1527 4737 3523 7432 2979 7382 4179 4124 -1821 3207 2806 1645 909 291 811 -2349 1272 -834 -2494 -517 3521 -1279 -2075 -5592 SS 20231114T124119.0Z 8718.528692 71 1 48.44 2 80.54 124.66 94.88 119.73 0.00 1 0.00 1 0 25 6.340e-01 1.340e-02 6.672e-02 1.845e-03 7.619081e-01 1.038028e-03 8.760098e-03 -6.000000e+00 3.767911e-01 223.25 -2.00 3.52 -2.00 321.31 0.00e+00 6.707041e-03 5.243009e-04 2.307230e-03 -6.000000e+00 1.673740e-02 280.34 -2.00 20.00 -2.00 320.82 0.00e+00 5.794 0.004 302.00 328.00 3 5.5698e-01 3.5558e-03 7.0608e-02 -6.0000e+00 9.2698e-01 1.4389e-01 4.9904e-03 4.1943e-02 -6.0000e+00 1.0058e+00 -2.2312e-01 5.1589e-03 2.4882e-02 -6.0000e+00 6.0038e-01 9.0607e-02 2.4266e-03 1.0286e-02 -6.0000e+00 2.5705e-01 4.4274e-04 -1.4176e-03 5.1981e-05 1.4845e-04 -6.0000e+00 1.8831e-02 -3.9368e-03 -7.1890e-05 12 8 8 10 0 0 13.54 21.22 0.20 -0.00394 -0.01459 247 59 1 5 0 196.100 25.79 19.97 21.22 10.14 36.6 950.00 -203991 -210334 -195055 -203797 -316276 -202909 -191237 -198601 -164341 -165150 -177668 -137850 -119418 -87044 -71300 -53972 -65977 -45949 -47009 -43801 -40498 -18987 -45074 -30623 -39715 -18348 -38741 -27933 -35129 -42931 -20577 7352 -7471 -24 -12081 -3738 139 378 2565 8104 5901 5172 6559 6078 3946 10776 8126 7673 7980 7573 11714 13858 12059 9344 7460 7526 6789 4022 5405 4459 5913 6614 8541 8321 7284 3999 4179 1643 3282 3479 1953 1435 823 312 -369 -2278 -725 -3081 -1070 -316 -844 -1362 -1290 -2415 -743 -963 125 -71 1062 406 -502 -693 -1897 -1722 -497 -452 -765 735 632 -385 -534 -2036 -3051 -563 -236 -2033 -965 -812 -349 365 958 444 178 216 -181 -416 155 -122 688 627 127 212 1065 902 1182 948 -1277 441 1049 372 536 -483 -651 -378 355 -64 -573 384 370 -213 16 -903 -1871 -2345 -2000 -2163 -8895 -2080 -1892 -2357 -1537 -1693 -2269 -1488 -1439 -1002 -898 -689 -1080 -694 -769 -733 -663 -253 -835 -529 -793 -310 -815 -528 -758 -1181 -566 181 -249 -1 -422 -127 5 17 123 429 353 335 444 424 291 774 627 637 711 749 1266 1636 1591 1381 1176 1233 1045 683 886 747 958 1204 1746 1916 1753 991 1077 462 1032 1236 751 565 314 111 -120 -696 -217 -1016 -407 -142 -409 -756 -774 -1556 -505 -690 92 -53 775 283 -332 -444 -1240 -1229 -406 -400 -782 839 708 -424 -586 -2042 -2912 -545 -243 -2227 -1127 -962 -461 541 1454 705 283 333 -268 -649 232 -191 1122 1031 203 325 1675 1366 1737 1362 -1874 703 1782 712 1057 -1026 -1388 -859 855 -159 -1454 974 920 -502 35 -2031 SS 20231114T125037.8Z 8718.535160 77 1 48.40 2 79.12 126.38 93.45 121.18 0.00 1 0.00 1 0 25 4.649e-01 9.341e-03 3.698e-02 1.102e-03 6.824779e-01 6.095969e-04 7.845931e-03 -6.000000e+00 2.763389e-01 223.25 -2.00 3.52 -2.00 320.85 0.00e+00 2.893948e-03 2.699751e-04 8.113062e-04 -6.000000e+00 1.227465e-02 280.34 -2.00 20.00 -2.00 320.33 0.00e+00 5.103 0.002 302.00 328.00 3 4.2958e-01 1.9462e-03 6.2036e-02 -6.0000e+00 6.7985e-01 2.9604e-02 2.5991e-03 3.6354e-02 -6.0000e+00 7.3762e-01 -5.6874e-02 2.6142e-03 1.9740e-02 -6.0000e+00 4.4030e-01 1.7788e-02 1.2709e-03 7.1458e-03 -6.0000e+00 1.8854e-01 1.0632e-03 -1.0154e-03 3.1756e-05 8.9982e-05 -6.0000e+00 1.3809e-02 -4.3465e-03 -4.9415e-05 12 8 8 10 0 0 32.82 21.21 0.18 -0.00435 -0.01198 407 98 1 5 0 118.910 25.79 20.00 21.21 11.10 37.1 954.61 -163736 -138611 -147819 -165450 -217368 -158679 -143611 -151149 -120050 -116055 -123254 -104181 -83538 -69133 -56014 -39365 -41034 -32873 -35790 -24562 -27075 -27455 -25631 -21356 -23627 -14844 -20696 -18380 -19237 -21430 -12831 -1358 -6360 45 -7579 -4182 -7407 867 -480 2373 329 3629 2523 2128 2465 3769 2928 4817 2371 2317 3741 5937 4522 4617 2803 4068 3088 2414 1407 1734 1052 2919 3126 3949 2618 -333 906 73 1705 2053 1060 985 331 22 -528 -1771 -1406 -2846 -745 -634 -1371 -1415 -2253 -2266 -821 -615 204 341 1421 729 349 82 -967 -576 394 118 -155 946 748 -341 -360 -1820 -2175 -90 338 -1622 -542 -887 -190 444 981 474 304 193 -206 -432 259 -323 579 453 -263 -341 770 420 880 766 -1364 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