File name: Pandora64s1_NewHavenCT_20240115_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240116T050419.9Z 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 v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240115_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: 20240115 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 20240115T125017.1Z 8780.534920 59 1 48.00 2 85.20 123.77 115.78 75.42 0.00 1 0.00 1 0 17 5.600e-01 7.779e-02 2.831e-01 3.203e-02 1.155758e+00 1.905368e-02 1.332228e-02 -6.000000e+00 3.328916e-01 223.72 -2.00 3.52 -2.00 321.57 0.00e+00 -1.062153e-03 5.859645e-03 4.451797e-03 -6.000000e+00 1.446108e-02 275.00 -2.00 20.00 -2.00 321.01 0.00e+00 10.133 0.019 302.00 328.00 3 -5.9398e-01 5.7371e-02 1.1943e-01 -6.0000e+00 8.2128e-01 2.9591e+00 6.5678e-02 6.3474e-02 -6.0000e+00 8.9216e-01 -2.4813e+00 3.8896e-02 2.9799e-02 -6.0000e+00 5.3064e-01 7.1719e-01 2.1125e-02 8.9580e-03 -6.0000e+00 2.2549e-01 7.0080e-06 8.9421e-05 7.8394e-04 1.4585e-04 -6.0000e+00 1.6630e-02 2.9181e-03 -1.8750e-04 12 8 8 10 0 0 -136.27 21.57 0.70 0.00292 0.00359 21 5 1 5 0 2285.530 26.00 20.01 21.57 2.09 35.9 919.78 -10792 98238 56260 116670 48220 22091 -7196 -38910 71201 96526 12706 109862 23859 47400 27031 150264 68041 105581 29018 114658 10035 316401 122403 74338 15239 122229 -40994 26130 -22841 -103994 -8753 42198 38891 87058 5979 -33163 -10733 27003 4000 20513 120643 58436 74117 -26476 -15565 72333 41900 45821 7334 -59436 46700 14719 188686 2285 103802 6068 57710 3772 50747 -5964 26114 -7314 43352 662 64227 -927 26823 15497 54596 24941 81198 16600 37971 -13064 -10973 -29741 151915 -2231 -17455 44882 31200 -41599 15296 4116 15708 -9473 23301 6771 27536 6289 -9675 2598 -11337 -11516 -1757 24169 891 11808 9575 -3681 -10685 3560 -18281 4554 -10454 -13217 -4745 36990 -6289 7264 8092 284 -2692 8968 -5119 2921 391 2041 -7080 5602 -9085 6824 -1301 8720 1311 -3648 -9318 11542 2929 2275 -831 -2261 -5279 219 1498 -899 -293 1941 3748 -662 -2829 1195 -2359 7286 5600 5010 3388 1854 -786 -5432 3474 3579 1116 4288 2654 4903 3904 6745 7038 7418 4078 6266 1371 9880 5351 4933 1755 4835 -6961 2040 -2898 -32093 -1315 4200 4251 5800 747 -6019 -1655 3429 679 3203 7535 6691 6944 -5891 -2947 5873 4623 5056 1252 -20068 6417 2787 7071 540 9508 1374 7929 809 6128 -1192 3860 -1660 6679 161 8959 -249 5752 3968 10570 7010 13185 4942 8221 -3850 -2901 -8606 7794 -557 -5723 9998 9223 -26955 5941 1856 6530 -5140 9141 3052 10261 2516 -4268 1004 -5332 -6248 -1032 12972 702 9449 8111 -3398 -9531 2390 -14022 2853 -7957 -10783 -3871 22236 -6813 8024 10029 381 -3813 11185 -7184 3772 535 2849 -11093 7491 -13151 8390 -1683 9871 1577 -4550 -12822 15138 4724 4284 -1825 -5520 -14486 616 4442 -2636 -862 5570 10733 -1828 -7375 2801 SS 20240115T130149.7Z 8780.542936 62 1 48.52 2 83.42 125.80 113.72 77.43 0.00 1 0.00 1 0 25 5.969e-01 3.436e-02 1.982e-01 7.298e-03 1.036552e+00 4.312051e-03 1.193780e-02 -6.000000e+00 3.550468e-01 223.72 -2.00 3.52 -2.00 322.21 0.00e+00 4.236389e-02 2.211356e-03 1.140965e-02 -6.000000e+00 1.541136e-02 275.00 -2.00 20.00 -2.00 321.82 0.00e+00 7.933 0.009 302.00 328.00 3 -5.5374e-03 1.5301e-02 1.4051e-01 -6.0000e+00 8.7597e-01 1.8073e+00 1.7702e-02 1.5756e-01 -6.0000e+00 9.5132e-01 -2.2685e+00 1.2908e-02 2.7900e-02 -6.0000e+00 5.6583e-01 9.2392e-01 6.7185e-03 4.2730e-02 -6.0000e+00 2.4063e-01 5.1971e-05 -3.7802e-03 1.8655e-04 4.4466e-04 -6.0000e+00 1.7725e-02 5.2850e-04 -8.3956e-05 12 9 8 11 8 0 92.28 21.58 0.17 0.00053 -0.02788 83 20 1 5 0 584.560 26.00 19.99 21.58 2.45 36.0 921.99 58335 203912 97699 135039 -111320 146001 -2571 102053 28014 62328 -60806 46492 -13618 73891 67086 162384 88337 172764 111057 144076 78736 121988 140415 59482 2136 22515 -12340 -35076 36425 -45938 55668 67885 104378 80412 184696 27656 115100 47570 87551 33648 93594 24300 115689 2477 90026 24940 113712 47714 79323 10556 94294 71966 119548 37415 74569 18281 65507 9494 51378 12221 38325 9792 54070 35993 56427 21803 39815 30683 34044 24090 30025 21143 16071 3181 6824 1615 11172 -3321 286 9255 1766 -5782 3595 -108 -611 1398 215 5650 1847 4706 -4827 -1003 -11494 -9011 -8637 -2271 -4572 1379 -1253 1033 -1063 -738 -9063 -1322 -5162 -4751 -5834 -688 -5189 -1542 -2151 -2256 -2488 -1829 -3144 -1802 -860 1130 2139 3753 2716 4168 3730 4617 3823 2761 -1076 726 1853 953 1405 -284 702 -410 1231 -209 -289 33 1076 -1346 -949 -3600 2664 2506 3350 2621 -16514 1511 -90 990 471 710 -2085 692 -546 1769 2257 2773 3143 3074 3233 2796 2547 2344 1899 1347 72 553 -407 -1475 933 -3120 1837 2371 3120 2705 2103 1288 2457 1877 2679 1676 2864 1383 3046 189 3267 1662 3641 2902 3746 1065 4514 4609 5445 3606 4776 1951 4111 970 3290 1170 3050 1191 4932 4517 6096 3343 5306 4684 5550 4386 5788 4012 3233 650 1183 268 1713 -662 62 2261 546 -2198 1337 -44 -260 603 97 2419 808 1903 -2015 -393 -5139 -4446 -5132 -1426 -3516 1168 -1175 931 -903 -547 -6608 -900 -3866 -3706 -5014 -626 -5732 -1922 -2851 -3213 -3639 -2637 -4497 -2533 -1247 1685 3295 5658 3928 6019 5223 6199 5069 3660 -1505 1056 3179 1910 3162 -660 1742 -1101 3459 -610 -847 98 3023 -3592 -2321 -8362 SS 20240115T131209.2Z 8780.550107 65 1 48.47 2 81.86 127.65 111.86 79.19 0.00 1 0.00 1 0 17 5.804e-01 2.273e-02 1.209e-01 2.973e-03 9.317661e-01 1.714119e-03 1.056678e-02 -6.000000e+00 3.452701e-01 223.72 -2.00 3.52 -2.00 321.86 0.00e+00 1.930079e-02 9.147816e-04 1.331921e-03 -6.000000e+00 1.498601e-02 275.00 -2.00 20.00 -2.00 321.45 0.00e+00 6.625 0.005 302.00 328.00 3 2.1131e-01 6.0552e-03 8.5342e-02 -6.0000e+00 8.5185e-01 7.0710e-01 8.5724e-03 6.1868e-02 -6.0000e+00 9.2510e-01 -9.2997e-01 8.9178e-03 2.9713e-02 -6.0000e+00 5.5023e-01 3.8756e-01 4.1375e-03 2.1631e-02 -6.0000e+00 2.3402e-01 2.0981e-04 -1.8934e-03 7.9182e-05 3.0507e-04 -6.0000e+00 1.7236e-02 1.0466e-05 -7.9497e-05 12 8 8 10 0 0 92.03 21.58 0.21 0.00001 -0.01422 188 45 1 5 0 257.790 26.00 20.00 21.58 3.08 35.9 924.37 -197836 -91691 -138234 -112242 -306640 -123590 -199809 -146814 -190136 -140869 -215374 -133256 -124508 -63279 -75185 23970 -67100 40349 -64441 48848 -49072 58247 -19619 -4314 -55510 8434 -60984 -2170 -36291 -51365 -18282 26340 8340 34240 22696 5516 25401 14544 32172 24272 35761 27213 37222 8758 36638 30570 48650 32503 38667 18522 45223 31312 44669 26691 34431 18002 20938 11593 23710 11549 24674 15605 26496 19766 25211 12316 20678 11252 16527 10178 13148 8284 8768 3751 6639 -1865 6058 -3343 1033 952 2314 -2653 380 -2043 -1047 -2011 -358 -409 1291 557 -1420 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