File name: Pandora64s1_NewHavenCT_20241201_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241202T164642.2Z 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_20241201_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: 20241201 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 20241201T124451.6Z 9101.531153 64 1 48.26 2 83.54 126.84 89.86 128.36 0.00 1 0.00 1 0 25 5.578e-01 6.326e-02 2.801e-01 2.464e-02 1.090552e+00 1.466694e-02 1.251513e-02 -6.000000e+00 3.305717e-01 222.91 -2.00 3.52 -2.00 321.81 0.00e+00 2.951839e-04 5.546027e-03 2.827721e-03 -6.000000e+00 1.460439e-02 278.34 -2.00 20.00 -2.00 321.29 0.00e+00 8.050 0.010 302.00 328.00 3 1.4962e+00 4.7403e-02 9.9852e-02 -6.0000e+00 8.1317e-01 2.2919e+00 5.4640e-02 6.1749e-02 -6.0000e+00 8.8339e-01 -2.3118e+00 3.4994e-02 2.8889e-02 -6.0000e+00 5.2679e-01 7.7030e-01 1.9043e-02 9.8602e-03 -6.0000e+00 2.2483e-01 8.5506e-06 -1.5146e-03 6.3024e-04 1.4797e-04 -6.0000e+00 1.6566e-02 4.7399e-03 -1.9508e-04 12 8 8 10 0 0 76.93 21.47 -0.00 0.00474 -0.00664 16 4 1 5 0 3015.970 25.90 20.00 21.47 4.09 37.2 925.00 102632 58734 103994 94181 64559 8703 -20582 -12373 62575 71567 164383 153035 -12298 38973 20314 91912 19562 86391 15340 127091 -19658 106096 183345 79389 24227 67469 -28775 47351 -12483 -112397 -7580 27687 44789 40466 65105 32530 5167 -10990 69326 33844 53570 16556 48395 -39939 4689 -1052 97333 -862 15823 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-3250 4202 -12699 -1629 656 7752 -2574 5730 2831 -297 12729 -3842 -14229 1426 -8875 -1250 -6905 17924 -3349 8898 2833 -888 -4068 3164 -8260 -5095 -990 802 -4265 4973 -4082 2196 -5910 9488 2739 3560 -8712 7258 4439 3279 -2944 -8049 -3322 273 3220 1511 1650 2179 4766 -2375 -907 -3875 SS 20241201T125531.9Z 9101.538563 67 1 48.53 2 81.96 128.76 88.37 130.11 0.00 1 0.00 1 0 25 4.529e-01 3.092e-02 2.184e-01 1.096e-02 1.019537e+00 6.453980e-03 1.186412e-02 -6.000000e+00 2.692130e-01 222.91 -2.00 3.52 -2.00 322.00 0.00e+00 1.717492e-02 3.236141e-03 2.165531e-03 -6.000000e+00 1.209622e-02 278.34 -2.00 20.00 -2.00 321.55 0.00e+00 6.690 0.005 302.00 328.00 3 2.0568e+00 2.2736e-02 8.6064e-02 -6.0000e+00 6.6386e-01 1.4674e+00 2.8413e-02 5.7300e-02 -6.0000e+00 7.2136e-01 -1.7927e+00 2.2849e-02 3.0426e-02 -6.0000e+00 4.2865e-01 7.0417e-01 1.1291e-02 1.7818e-02 -6.0000e+00 1.8303e-01 2.3420e-05 -3.0109e-03 2.8333e-04 3.0066e-04 -6.0000e+00 1.3477e-02 1.1655e-03 -3.1240e-05 12 8 8 10 0 0 99.59 21.48 0.21 0.00117 -0.02146 25 6 1 5 0 1940.940 25.90 20.00 21.48 4.49 37.0 926.07 -36055 28630 -17184 8277 -88478 -70051 -11988 -91100 900000 -74879 -49546 -93411 -53576 -51827 270787 -11474 70502 68020 44074 -18145 191014 116261 900000 2335 26271 -13817 -70929 -57476 4279 -109229 -4358 19252 36453 30717 67514 23781 27343 -26334 47999 22655 75148 34537 16948 -23378 18312 30007 81941 13373 46284 -23847 80636 79096 83272 45357 41902 39278 30990 23847 41936 27986 12830 26934 18027 5302 46711 13763 14298 52168 20162 21108 28280 22706 2483 9781 -8432 4422 28886 1457 -5317 13372 1846 -1872 -768 2894 2794 -991 2302 2827 2672 269 -2890 3292 -11746 -7423 -6909 -725 -4558 -1624 -838 -2852 -1722 -4675 -9381 -2585 -2943 -6484 -2833 2750 -4033 -435 1838 -1887 312 534 -792 -2092 1421 -833 1530 2060 1443 1536 3504 2481 5035 1256 -1182 1001 1566 597 1039 -550 -517 -1027 954 40 446 810 858 -724 -1879 -2293 -1495 688 -594 199 -4336 -2509 -232 -3434 900000 -2349 -1224 -4108 -2253 -2637 2892 -562 1741 1816 1471 -1015 2040 1573 900000 84 701 -526 -4278 -3108 131 -11734 -221 900 1606 1415 2067 1032 1205 -2068 2147 1437 2960 2098 1256 -2423 1332 1983 3336 1152 3059 -3251 4575 4963 5336 4481 4307 4116 3434 2674 3695 2783 1467 3200 2537 963 5869 2412 2614 6915 4117 4747 6165 5192 647 2132 -1944 814 4192 308 -1450 3671 629 -757 -332 1264 1288 -492 1135 1387 1284 125 -1305 1367 -5847 -3986 -4403 -493 -3794 -1514 -827 -2809 -1545 -3800 -7293 -1908 -2309 -5504 -2517 2563 -4638 -533 2494 -2838 469 793 -1161 -3074 2084 -1301 2426 3221 2155 2157 4906 3389 6552 1671 -1630 1454 2680 1187 2197 -1281 -1296 -2650 2569 112 1242 2250 2307 -1833 -4649 -5289 SS 20241201T130654.0Z 9101.546458 70 1 48.35 2 80.32 130.85 86.83 132.01 0.00 1 0.00 1 0 25 5.191e-01 2.404e-02 1.154e-01 3.479e-03 9.047987e-01 1.986861e-03 1.048224e-02 -6.000000e+00 3.078205e-01 222.91 -2.00 3.52 -2.00 321.65 0.00e+00 1.846980e-02 1.042650e-03 1.409494e-03 -6.000000e+00 1.358777e-02 278.34 -2.00 20.00 -2.00 321.21 0.00e+00 5.676 0.003 302.00 328.00 3 1.5630e+00 6.9476e-03 7.5173e-02 -6.0000e+00 7.5724e-01 6.5178e-01 9.4338e-03 5.3669e-02 -6.0000e+00 8.2240e-01 -9.1280e-01 9.2884e-03 2.9002e-02 -6.0000e+00 4.9043e-01 3.8593e-01 4.3567e-03 2.0194e-02 -6.0000e+00 2.0949e-01 1.3524e-04 -2.2478e-03 9.0660e-05 2.8327e-04 -6.0000e+00 1.5412e-02 1.8704e-03 -9.6983e-05 12 8 8 10 0 0 63.96 21.50 0.08 0.00187 -0.01502 79 19 1 5 0 611.930 25.90 20.00 21.50 4.38 37.1 925.86 -148355 -104996 -151264 -138899 -291154 -125315 -154547 -158764 -153467 -122986 -160276 -113173 -108176 -717 -43918 24876 -19935 33218 -1145 27964 -9676 80894 41322 -2367 -42130 -8000 -12106 -44089 15838 -57966 -5998 17222 34880 31531 23795 14173 26026 11203 44621 31476 38228 33230 42666 12554 23641 32018 52126 33854 39180 16884 39130 19919 45230 26480 31820 16644 20899 11669 22825 12592 20095 15141 23481 15030 23966 15008 15476 11715 12402 8057 8931 6997 6142 2585 4060 -2074 5775 -3198 -1292 2172 -268 -817 -1442 -3459 -2122 -1595 -1278 -340 142 124 -2271 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