File name: Pandora64s1_NewHavenCT_20241203_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241204T051522.4Z 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_20241203_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: 20241203 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 20241203T123619.4Z 9103.525225 59 1 48.65 2 85.17 125.39 109.34 111.70 0.00 1 0.00 1 0 33 5.985e-01 8.626e-02 2.838e-01 3.857e-02 1.174876e+00 2.289373e-02 1.376550e-02 -6.000000e+00 3.549627e-01 222.89 -2.00 3.52 -2.00 321.23 0.00e+00 1.131660e-03 5.832498e-03 6.045683e-03 -6.000000e+00 1.565243e-02 278.12 -2.00 20.00 -2.00 320.58 0.00e+00 10.078 0.019 302.00 328.00 3 -4.3324e-01 6.6611e-02 1.2099e-01 -6.0000e+00 8.7323e-01 3.2065e+00 7.6734e-02 6.7836e-02 -6.0000e+00 9.4832e-01 -2.5459e+00 4.3128e-02 2.9498e-02 -6.0000e+00 5.6546e-01 6.6245e-01 2.2849e-02 9.4329e-03 -6.0000e+00 2.4160e-01 5.5149e-06 2.1181e-03 9.2205e-04 1.3888e-04 -6.0000e+00 1.7772e-02 -8.8698e-04 -1.2494e-04 12 8 8 10 0 0 -27.29 21.20 0.43 -0.00089 0.01503 18 4 1 5 0 2702.110 25.68 19.98 21.20 6.01 37.4 934.12 98523 -7661 75902 22003 -23718 33027 -14644 13272 168220 -13517 2397 108072 18188 114175 48779 75166 28965 144456 34563 90516 60264 145297 90704 128247 32459 25460 -37277 62868 -51355 -97811 16236 248 48016 46528 168 96411 1413 30335 63419 61034 86923 147531 -7077 -58235 -4085 23155 146801 -21098 6119 -44202 59771 -14889 148904 1377 5943 22132 28370 8214 67919 42462 7315 -3610 26547 -38726 83568 -12265 70353 83031 28823 28714 40386 28319 25755 -16839 -13324 -43888 387611 -11777 -9002 12836 13373 -16150 1458 -6611 6684 7618 16401 2325 39721 13212 691 10015 -27724 -11932 31067 37893 255 13500 8806 -3127 -7255 -11007 -20723 -7331 -3950 -8256 -5625 55928 11533 9226 13223 -1032 4489 4474 69 -4210 -5572 -2280 -5813 6380 -7759 4942 -2134 8016 2174 -8114 -10847 13173 -84 1087 -6531 -2664 -4851 1065 2391 395 1293 1441 1319 -281 -775 1709 9589 -1936 7723 3017 -4013 3068 -2105 1409 6326 -1794 281 5588 2655 8050 7121 8978 5574 9166 5734 8296 6132 6146 6608 6329 3733 3111 -7174 4285 -10450 -34941 2334 46 6206 5577 27 6118 231 4420 7452 7889 8784 7975 -1612 -20481 -845 3537 6992 -4947 1222 -14861 8288 -4347 10079 372 1525 5045 5734 1834 7502 5688 1427 -865 5303 -15333 10409 -3771 10582 11708 7790 8300 10441 7853 6537 -5659 -3695 -15059 14575 -3377 -3025 4103 4903 -8395 668 -3393 3090 3522 6929 1095 12976 5186 289 3790 -15331 -6519 14018 17769 203 10571 7422 -2815 -6082 -8278 -15814 -5027 -2726 -6209 -4492 28785 10204 9754 15150 -1367 5749 5997 90 -5682 -7892 -3234 -8719 8637 -10650 5935 -2671 8776 2496 -10212 -14803 16754 -139 2057 -15103 -6505 -13245 2972 7028 1146 3756 4409 3875 -775 -1987 4024 SS 20241203T124832.3Z 9103.533707 62 1 48.01 2 83.32 127.55 107.31 113.37 0.00 1 0.00 1 0 17 4.738e-01 3.297e-02 1.732e-01 9.436e-03 1.119813e+00 5.656620e-03 1.316963e-02 -6.000000e+00 2.809969e-01 222.89 -2.00 3.52 -2.00 322.32 0.00e+00 4.412985e-02 2.915530e-03 1.264587e-02 -6.000000e+00 1.239163e-02 278.12 -2.00 20.00 -2.00 321.92 0.00e+00 7.837 0.009 302.00 328.00 3 3.0152e-01 2.0602e-02 1.5005e-01 -6.0000e+00 6.9127e-01 2.0697e+00 2.3593e-02 1.7385e-01 -6.0000e+00 7.5073e-01 -2.5537e+00 1.5511e-02 3.0571e-02 -6.0000e+00 4.4764e-01 1.0137e+00 8.4303e-03 4.5156e-02 -6.0000e+00 1.9124e-01 3.5720e-05 -4.2034e-03 2.3208e-04 4.8277e-04 -6.0000e+00 1.4069e-02 1.9976e-05 -1.1155e-04 12 8 8 10 0 0 99.41 21.21 0.15 0.00002 -0.03157 66 16 1 5 0 727.240 25.68 19.99 21.21 7.35 37.6 940.13 161319 162508 109722 118686 -94856 87026 5170 -14444 58333 -1484 -38833 14580 -4193 13109 72040 117388 112563 136558 108246 120185 85479 110958 105164 -5062 -2622 9971 -9982 -9111 35680 -57365 27949 46379 71138 72280 43472 11919 67192 -4906 71000 34927 50819 26189 86613 -8687 10955 31485 34751 13349 50888 11384 48452 87445 101187 54362 60390 31273 26509 17366 43768 21643 29813 18528 33712 23659 67539 31463 38649 45386 34922 31976 21289 24659 13303 8351 -1411 -6114 18292 -9251 -2122 13845 4707 -70 1723 695 5553 420 3739 2599 3150 4006 -5787 -3470 -10494 -8921 -7100 -2657 -5464 -675 -155 1326 -219 -1896 -9371 -2394 -4414 -6295 -6719 418 -4600 -3268 -2326 -2648 -2402 -1570 -2496 -1868 120 763 2628 3102 1991 4144 4347 4640 4182 3641 -1445 1257 1441 984 1532 -69 -12 65 553 -149 -383 223 859 -633 -1152 -3328 4048 4214 4206 3673 -15844 2111 212 -556 878 -35 -1267 354 -182 691 2772 3437 3766 3769 3803 3418 2931 2413 2023 -237 -99 292 -334 -305 865 -4178 1286 2134 2856 2781 1927 668 2136 -328 2316 1694 2125 1424 2680 -712 761 1870 2122 1094 3065 1095 3526 4608 4824 4229 4243 2773 2306 1525 2782 1720 2344 1875 3440 3087 6045 4079 4881 5618 4846 5026 3820 4178 2315 1351 -220 -987 2356 -1631 -433 2983 1310 -23 609 258 2052 168 1488 1048 1239 1483 -2218 -1272 -4280 -4090 -3598 -1583 -4034 -558 -138 1146 -177 -1357 -6467 -1540 -3062 -4651 -5445 354 -4792 -3685 -2989 -3696 -3452 -2236 -3527 -2617 171 1137 3999 4648 2845 5419 5462 6066 5384 4675 -1846 1794 2480 1988 3268 -164 -30 179 1614 -451 -1159 670 2482 -1715 -2871 -7800 SS 20241203T143827.2Z 9103.610037 123 1 44.79 2 69.65 149.63 90.37 129.49 0.00 1 0.00 1 0 25 4.517e-02 6.863e-03 7.003e-03 5.476e-04 4.716437e-01 2.892884e-04 5.588373e-03 -6.000000e+00 2.680954e-02 222.88 -2.00 3.52 -2.00 319.15 0.00e+00 8.860936e-04 7.358243e-05 3.262653e-04 -6.000000e+00 1.181728e-03 278.11 -2.00 20.00 -2.00 318.57 0.00e+00 2.846 0.000 302.00 328.00 3 1.4527e+00 7.9407e-04 3.7195e-02 -6.0000e+00 6.5954e-02 1.6880e-02 9.2341e-04 2.3991e-02 -6.0000e+00 7.1605e-02 9.0577e-03 7.1918e-04 1.2219e-02 -6.0000e+00 4.2696e-02 -1.2884e-02 3.8051e-04 3.7611e-03 -6.0000e+00 1.8258e-02 3.9560e-03 -1.5338e-04 1.6589e-05 4.3960e-05 -6.0000e+00 1.3414e-03 -2.3845e-03 2.6728e-05 12 9 1 12 1 1 99.99 21.17 0.16 -0.00238 -0.00354 726 181 1 5 0 61.590 25.68 20.01 21.17 7.95 37.6 942.47 -9918 -11720 -9843 -18967 -30521 -19198 -10035 -10158 -7490 -9811 -12437 -8841 -4653 -4204 -1009 -464 -910 1179 634 1601 631 -481 -226 -3 -565 -623 -1109 -2651 -2046 -1407 1296 395 1849 -503 -5164 -2750 -2110 -867 109 55 -1318 -1044 -394 -817 -445 64 -506 -186 -686 -79 1320 -341 978 1385 405 815 957 488 49 351 591 1591 1473 2446 907 -972 40 -1312 833 1524 407 540 -66 287 -72 -974 -836 -1891 -444 -414 -1160 -639 -1759 -1895 -466 -450 303 373 1155 719 480 586 -543 131 853 287 -82 1065 671 -397 -390 -1636 -1830 130 317 -1417 -378 -734 -199 366 821 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