File name: Pandora75s1_EssexMD_20241030_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241031T050433.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241030_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20241030 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: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20241030T121615.8Z 9069.511294 101 1 51.92 2 82.90 114.70 64.32 125.57 0.00 1 0.00 1 0 25 6.717e-01 4.274e-02 2.246e-01 1.190e-02 6.844741e-01 6.830231e-03 9.227572e-03 -6.000000e+00 4.077780e-01 224.84 -2.00 3.48 -2.00 321.50 0.00e+00 1.124239e-02 2.840449e-03 7.505667e-03 -6.000000e+00 1.889450e-02 283.54 -2.00 20.00 -2.00 320.94 0.00e+00 7.439 0.007 302.00 328.00 3 1.8289e+00 2.2323e-02 8.7518e-02 -6.0000e+00 1.0047e+00 1.0453e+00 2.6465e-02 4.8500e-02 -6.0000e+00 1.0884e+00 -1.4346e+00 1.6828e-02 2.3553e-02 -6.0000e+00 6.4730e-01 5.8952e-01 8.5303e-03 7.5182e-03 -6.0000e+00 2.7678e-01 2.5211e-05 -2.6174e-03 3.7228e-04 2.1627e-04 -6.0000e+00 2.0964e-02 -2.7470e-02 1.0162e-04 12 8 8 10 0 0 13.99 23.55 1.53 -0.02747 -0.04714 22 4 1 5 0 2359.690 26.32 20.00 23.55 20.51 5.5 960.82 -56741 33256 72960 47392 -57955 63102 900000 -6143 -66291 -49961 -41403 -47023 900000 167026 -7432 90626 135457 37798 457706 177971 50824 280816 205314 51344 43556 72122 900000 57546 82918 -12089 21107 42002 67883 121506 89369 900000 -26360 11727 95996 28376 33391 38037 23879 73869 43881 106977 71017 9111 116983 41389 34935 67574 98914 99195 -729 23486 11356 34909 34603 8927 -142 15875 18216 16708 20401 -25426 6051 2466 26409 57370 3205 15442 -2852 -996 10916 4250 -9473 -11182 3353 -10506 7280 -26850 -1727 8822 8168 -13974 4682 5732 -289 1384 -6518 -16354 -308 -10759 -11018 4378 494 3063 336 647 -1420 -7924 2856 -1444 193 -4670 -24 -295 -1805 3066 4397 -670 -2666 -1305 -934 -456 941 -177 -539 3882 1707 6019 5321 1128 3014 -3961 3062 -5098 -519 1778 1241 -1500 -12 -313 -1497 582 39 2103 111 -429 -602 -2240 -7786 2025 2961 2448 -6608 1996 900000 -337 -6429 -3950 -2881 -3569 900000 2113 -642 3344 3427 2630 5308 3002 2893 3256 2381 2436 2158 2585 900000 2123 2273 -892 1268 2347 3220 3458 3297 900000 -2973 989 3947 2573 3098 3488 2824 5311 4223 5458 5188 1247 5562 4367 4213 6347 7226 7592 -155 3949 2133 5019 4775 1553 -28 2853 3570 3662 4495 -8727 1495 646 5880 10444 1085 4763 -1032 -330 2911 1089 -2614 -3203 929 -3935 2659 -15661 -857 4194 4158 -9398 2731 3390 -181 822 -3930 -10259 -161 -6512 -7512 2980 408 2817 343 662 -1405 -7654 2305 -1219 170 -4592 -24 -323 -2224 4046 5762 -979 -4018 -1893 -1297 -615 1271 -254 -821 5844 2611 8566 8126 1737 4397 -6026 4321 -7545 -825 3105 2400 -3202 -27 -746 -3841 1531 106 5648 302 -1119 -1483 -5310 SS 20241030T122650.8Z 9069.518644 104 1 51.28 2 81.06 116.50 62.74 127.84 0.00 1 0.00 1 0 17 4.107e-01 1.751e-02 7.715e-02 3.533e-03 6.203223e-01 1.955233e-03 8.063278e-03 -6.000000e+00 2.466572e-01 224.84 -2.00 3.48 -2.00 321.02 0.00e+00 6.307800e-03 8.987501e-04 6.175690e-03 -6.000000e+00 1.099593e-02 283.54 -2.00 20.00 -2.00 320.47 0.00e+00 6.091 0.004 302.00 328.00 3 1.5254e+00 6.5126e-03 7.3860e-02 -6.0000e+00 6.0803e-01 2.4238e-01 8.4600e-03 4.8010e-02 -6.0000e+00 6.5761e-01 -4.1222e-01 7.6592e-03 2.4381e-02 -6.0000e+00 3.9284e-01 1.6841e-01 3.7016e-03 6.8114e-03 -6.0000e+00 1.6995e-01 1.5118e-04 -1.5865e-03 1.0888e-04 1.6313e-04 -6.0000e+00 1.2710e-02 -2.8538e-02 1.4827e-04 12 8 8 10 0 0 6.90 23.55 0.83 -0.02854 -0.04046 71 12 1 5 0 722.260 26.32 20.00 23.55 21.57 5.4 967.57 900000 -142523 -65914 -139494 -177612 -118780 -145655 -115945 -178362 -128161 -147505 -81196 -23541 -54553 -85713 -4801 -25791 -3433 27308 -4292 42141 9768 15666 -38170 -34573 -13237 31790 2821 -15243 -26639 12415 2900 1530 14614 8491 29164 -14320 994 22368 2732 6541 5589 12538 13453 18316 18651 13521 3286 15921 16359 5433 15700 18232 23346 645 9269 4240 8927 3966 1887 984 3020 7928 6252 5580 -2150 3714 3343 5281 8988 3614 1456 2620 -285 1221 809 -5756 -3081 -4985 -4635 -2159 -6628 -2326 -1290 457 -2348 1697 1098 1197 -818 -626 -2935 -681 -3860 -2256 -715 653 974 -213 -222 -1794 -2287 -1731 -1044 -1600 -2011 -1200 -921 410 1107 1644 543 -24 -348 -489 -263 -193 382 432 985 875 1848 1933 1466 777 -384 535 -1173 234 366 -28 -830 -199 -473 -29 130 511 725 -143 71 -755 -1067 900000 -3391 -784 -3406 -5838 -2045 -3329 -2105 -6533 -3009 -4387 -1373 -273 -1093 -2925 -87 -654 -84 527 -118 740 235 361 -1577 -1441 -460 712 83 -530 -1110 406 123 75 669 406 1125 -917 63 1363 238 615 570 1252 1371 1810 1875 1462 405 1804 1966 799 2303 2844 3730 136 1858 910 1817 830 401 219 723 2034 1808 1704 -703 1138 1063 1799 3330 1548 665 1171 -124 482 291 -2085 -1108 -2036 -2212 -1170 -3880 -1430 -840 313 -1760 1283 859 935 -629 -451 -2041 -450 -2737 -1755 -633 658 1018 -242 -252 -1958 -2511 -1771 -1070 -1752 -2350 -1360 -1124 543 1620 2621 849 -37 -531 -773 -403 -300 617 681 1596 1415 2879 3159 2323 1194 -578 792 -1868 377 657 -55 -1634 -412 -1042 -67 317 1191 1710 -338 173 -1751 -2371 SS 20241030T123904.0Z 9069.527130 109 1 51.70 2 78.96 118.64 60.98 130.57 0.00 1 0.00 1 0 25 2.907e-01 1.076e-02 2.631e-02 1.448e-03 5.374732e-01 7.824257e-04 6.585846e-03 -6.000000e+00 1.746109e-01 224.84 -2.00 3.48 -2.00 320.18 0.00e+00 2.726368e-03 2.792768e-04 2.819949e-03 -6.000000e+00 7.756615e-03 283.54 -2.00 20.00 -2.00 319.57 0.00e+00 5.037 0.002 302.00 328.00 3 1.1456e+00 2.3219e-03 5.8234e-02 -6.0000e+00 4.3045e-01 4.1447e-02 2.8591e-03 3.1618e-02 -6.0000e+00 4.6532e-01 -1.1091e-01 2.4991e-03 1.5853e-02 -6.0000e+00 2.7810e-01 3.8192e-02 1.2738e-03 4.4936e-03 -6.0000e+00 1.1960e-01 6.6457e-04 -1.3199e-03 4.4670e-05 7.8640e-05 -6.0000e+00 8.9430e-03 -2.8843e-02 1.7587e-04 12 8 8 10 0 0 39.21 23.56 0.55 -0.02884 -0.03876 177 29 1 5 0 292.040 26.32 19.99 23.56 22.74 5.4 975.90 -139836 -85644 -85272 -95585 -112520 -89152 -87649 -91114 -90243 -78039 -86436 -61943 -27742 -64031 -37675 -17410 -9773 -17394 403 -10512 -7410 -4065 -3940 -538 -15989 -4183 -9147 -5837 -16744 -16307 -3055 -7842 146 -5150 -3910 -3104 -7440 -3139 -271 -2410 766 604 3104 4588 3115 6092 2040 1735 1854 3913 2864 4389 3808 5825 2917 2508 1848 817 1390 -4 1234 1857 3726 4116 1983 544 411 487 1485 3412 1231 2174 1284 203 118 -1383 -2531 -3407 -2890 -2913 -1856 -3493 -1809 -1540 -283 -388 533 1614 1157 610 -121 -937 -1112 -1414 -1075 -258 221 714 220 -218 -1189 -1890 -1092 -1088 -1028 -1660 -637 -225 592 1207 1086 662 201 63 -328 -226 102 581 366 513 595 945 1169 602 356 -421 11 -229 127 118 -293 -480 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