File name: Pandora64s1_NewHavenCT_20250325_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250326T051730.3Z 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 v1.8.75 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250325_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: 20250325 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 20250325T113935.5Z 9215.485828 108 1 48.42 2 80.78 95.46 69.06 150.02 0.00 1 0.00 1 0 25 4.226e-01 3.211e-02 1.552e-01 4.948e-03 8.909546e-01 2.852514e-03 1.088090e-02 -6.000000e+00 2.545030e-01 226.90 -2.00 3.52 -2.00 321.70 0.00e+00 3.243195e-02 1.453322e-03 1.633370e-03 -6.000000e+00 1.104101e-02 277.85 -2.00 20.00 -2.00 321.25 0.00e+00 5.929 0.004 302.00 328.00 3 1.7839e+00 9.8468e-03 7.9450e-02 -6.0000e+00 6.3186e-01 1.0109e+00 1.2256e-02 6.6008e-02 -6.0000e+00 6.8427e-01 -1.3725e+00 1.0654e-02 2.8655e-02 -6.0000e+00 4.0668e-01 5.8462e-01 5.1356e-03 3.0889e-02 -6.0000e+00 1.7233e-01 7.6173e-05 -2.4965e-03 1.3100e-04 4.7498e-04 -6.0000e+00 1.2562e-02 -1.9026e-03 -6.5986e-05 12 8 8 10 0 0 98.68 21.53 0.13 -0.00190 -0.02066 47 11 1 5 0 1030.070 26.00 20.01 21.53 12.46 38.9 977.17 -1488 62495 -15512 37079 -206206 53168 -97871 -6923 -40713 -6437 -110502 -31696 -49754 54677 2450 70063 32046 122694 50289 113226 34338 126253 84762 106303 14722 51204 -9301 20752 6939 -31641 37350 70704 53035 81857 47394 50109 87146 45543 46372 60983 58553 34611 51637 9740 44812 33995 72277 47996 59915 23420 74289 48245 70507 33844 41721 23338 29508 14466 37696 15060 22793 16104 33052 14546 40917 13401 26590 16289 20214 12529 12978 10044 8400 -314 3172 -5698 10841 -3953 728 3246 1514 -2586 45 -3229 -49 -3338 100 -2497 1132 213 -3462 -4039 -8126 -6928 -5596 -3175 -4146 -393 222 390 -72 -598 -6037 -1903 -3199 -3822 -4328 -1558 -3271 -692 -574 -734 -1726 -140 -1362 -1283 -389 1046 1626 3002 1682 3266 2522 4078 2331 2893 -842 2234 1813 1478 1442 606 31 -243 368 -294 -1277 48 392 -667 -1193 -2491 -28 673 -368 454 -20759 428 -2833 -78 -589 -62 -2830 -510 -1274 747 68 1296 892 1628 1288 1639 930 1320 1227 1111 349 803 -242 442 190 -1468 1137 1990 1870 2337 1601 1618 2207 1758 1962 2422 2499 1965 2625 781 2644 2359 3621 3295 3891 2373 5018 4583 5678 3814 4299 2831 3264 1775 3833 1822 2765 2392 4795 2882 6500 2794 5031 3576 4758 3545 3815 3032 2423 -90 785 -1410 2286 -1065 226 1112 615 -1242 22 -1759 -27 -2015 61 -1564 675 122 -1927 -2188 -4647 -4345 -3844 -2546 -3952 -416 234 402 -74 -542 -5325 -1649 -2982 -3749 -4627 -1679 -4084 -965 -844 -1139 -2728 -214 -2034 -1896 -590 1639 2651 4834 2631 5051 3802 5827 3303 3997 -1214 3497 3139 2914 2991 1360 71 -595 951 -786 -3297 129 1020 -1639 -2742 -5704 SS 20250325T114937.1Z 9215.492791 113 1 49.02 2 78.90 97.15 68.15 152.25 0.00 1 0.00 1 0 33 4.099e-01 3.673e-02 1.372e-01 6.047e-03 7.599616e-01 3.397658e-03 1.021920e-02 -6.000000e+00 2.466071e-01 226.90 -2.00 3.52 -2.00 321.23 0.00e+00 4.070251e-02 1.473580e-03 3.253425e-03 -6.000000e+00 1.071074e-02 277.85 -2.00 20.00 -2.00 320.76 0.00e+00 5.014 0.002 302.00 328.00 3 3.0609e+00 1.0861e-02 6.5722e-02 -6.0000e+00 6.1223e-01 8.9430e-01 1.2943e-02 5.4753e-02 -6.0000e+00 6.6330e-01 -1.1370e+00 1.0348e-02 2.9934e-02 -6.0000e+00 3.9421e-01 4.9234e-01 5.1608e-03 3.4592e-02 -6.0000e+00 1.6682e-01 5.4595e-05 -4.6312e-03 1.6429e-04 5.2179e-04 -6.0000e+00 1.2186e-02 2.4788e-03 -2.3012e-04 12 8 8 10 0 0 99.88 21.54 0.03 0.00248 -0.03232 30 7 1 5 0 1633.700 26.00 20.01 21.54 12.90 39.0 978.75 9331 43302 9086 55106 -178608 -6882 -22690 3547 15300 -21666 -51052 60358 -18764 71561 61640 104225 63312 102549 90091 120922 82307 154148 148081 54637 20431 1561 -18919 3432 16106 -34256 47038 70663 79244 72839 67712 74826 51322 30646 49441 25176 37358 29857 51516 9271 50890 46215 57848 43105 58057 10801 50965 55781 46267 21596 26721 9324 12650 -436 18511 6792 15075 15024 24100 11385 29056 13481 17025 12510 11317 7939 8877 3054 2870 -2435 -34 -2859 6149 -4945 -3841 1151 -3103 -3341 -2266 -4774 -4980 -5611 -3533 -1321 -915 -42 -2423 -2607 -8632 -7186 -6190 -3808 -3994 494 1110 1052 -835 -179 -5947 -2440 -3319 -4442 -4230 556 -1813 -232 725 108 -964 39 -1090 -1240 571 478 1514 2801 2882 3160 2508 4119 2375 2649 -860 1955 2423 1432 1636 791 -142 -787 629 -725 -1206 -380 232 -801 -725 -2782 259 1021 293 1056 -24773 -170 -543 60 204 -383 -1129 593 -560 1322 1567 2112 2170 2607 2656 2757 2396 2060 1862 1409 655 57 -837 126 593 -2459 2080 2942 3446 3382 2994 3005 2704 1998 2898 2017 2760 2495 3734 1084 4165 4231 4995 4604 5617 1687 6168 6906 6228 3841 4402 1765 2233 -84 2898 1241 2775 3169 5336 3222 7138 3797 4695 3708 3540 2853 3294 1201 1069 -877 -11 -896 1744 -1694 -1467 503 -1631 -1981 -1348 -3041 -3371 -3998 -2561 -950 -649 -28 -1550 -1676 -5540 -4925 -4892 -3480 -4071 552 1311 1217 -913 -182 -5919 -2397 -3331 -4703 -4813 657 -2458 -333 1137 178 -1596 62 -1679 -1882 879 772 2542 4697 4674 4875 3766 5840 3476 3776 -1260 2918 4131 2643 3307 1643 -315 -1856 1489 -1788 -3008 -946 561 -1920 -1627 -5983 SS 20250325T115517.7Z 9215.496733 116 1 13.27 2 77.85 98.11 67.66 153.54 0.00 1 0.00 1 0 33 4.343e-01 2.082e-02 2.117e-01 5.795e-03 7.354054e-01 3.231209e-03 8.632806e-03 -6.000000e+00 2.615635e-01 226.90 -2.00 3.52 -2.00 320.92 0.00e+00 1.327549e-02 1.400182e-03 2.012959e-03 -6.000000e+00 1.134717e-02 277.85 -2.00 20.00 -2.00 320.43 0.00e+00 4.610 0.002 302.00 328.00 3 2.5905e+00 1.0187e-02 6.0429e-02 -6.0000e+00 6.4940e-01 2.8686e-01 1.3245e-02 3.9472e-02 -6.0000e+00 7.0324e-01 -3.7294e-01 1.2903e-02 2.6236e-02 -6.0000e+00 4.1796e-01 1.5966e-01 6.2892e-03 1.6480e-02 -6.0000e+00 1.7712e-01 1.6201e-04 -1.5226e-03 1.6073e-04 2.0177e-04 -6.0000e+00 1.2910e-02 -2.1792e-03 -6.9086e-05 12 9 9 12 1 1 97.03 21.53 0.10 -0.00218 -0.01362 12 11 1 5 0 1019.670 26.00 20.00 21.53 12.94 39.0 978.98 -141758 38841 -77077 -139554 -292540 -93688 -144283 -108361 -93264 -28600 -142436 -52156 -104045 17583 -61043 33528 -14543 45489 -11211 105503 -32800 83188 -7011 1383 -22994 -4265 -36556 1231 -31823 -33683 -724 8766 20533 22801 -4074 11576 16419 5064 26109 17637 8440 14568 17323 5177 9483 22180 18698 16794 13266 11576 20644 16157 17510 7825 12917 9900 7364 4196 9726 1095 6564 792 9279 4070 9259 1901 5759 4369 2850 3376 3831 1308 1586 -1218 -1635 -2942 1214 -4646 -1235 -364 -505 -2239 -2789 -3359 -1883 -2858 -409 -1617 1362 -84 -991 -937 -2046 -2366 -658 -1345 -1129 1311 582 203 -339 -1026 -2626 -234 -790 -2313 -1163 -313 -920 -205 431 291 -32 263 -963 -417 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