File name: Pandora75s1_EssexMD_20240728_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240729T052026.6Z 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 v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240728_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: 20240728 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 20240728T105522.7Z 8975.455124 215 1 51.87 2 81.39 72.70 22.45 172.47 0.00 1 0.00 1 0 17 4.407e-01 1.814e-02 3.454e-01 1.138e-02 8.337678e-01 7.128312e-03 9.656932e-03 -6.000000e+00 2.772446e-01 232.30 -2.00 3.48 -2.00 322.05 0.00e+00 1.768808e-03 4.289894e-03 5.865532e-03 -6.000000e+00 1.272342e-02 290.78 -2.00 20.00 -2.00 321.54 0.00e+00 6.293 0.004 302.00 328.00 3 1.7211e+00 2.9268e-02 8.3586e-02 -6.0000e+00 6.9734e-01 7.2380e-01 4.0273e-02 6.0726e-02 -6.0000e+00 7.5154e-01 -9.7229e-01 3.4591e-02 2.8068e-02 -6.0000e+00 4.4545e-01 3.7681e-01 1.5768e-02 7.1652e-03 -6.0000e+00 1.8804e-01 7.0860e-05 -1.8453e-03 3.4745e-04 1.5074e-04 -6.0000e+00 1.3843e-02 -3.0712e-02 1.5536e-04 12 9 8 11 16 0 25.76 23.66 1.19 -0.03071 -0.04458 42 7 1 5 0 1234.820 26.41 20.00 23.66 27.93 4.7 1012.52 -82240 -78176 -174141 -102658 -196574 -18744 -156805 900000 -161827 -87399 900000 -161872 -94830 55998 43235 6182 900000 900000 -3879 17317 -3136 -48219 900000 -16002 -61234 96381 -9419 -18860 -60674 -5478 -64013 22567 -38463 -5200 20878 -44294 -28889 -19808 12769 -12508 64530 -8298 47082 518 44767 30767 43900 26753 18636 57436 7403 64972 31549 35492 13624 21436 44128 14510 15528 15581 39839 26540 20137 23829 23598 11275 15258 15551 13532 16886 12251 4356 -2941 9489 4910 1242 -7936 -5467 222 2854 1043 1919 -384 -1476 -2228 -858 1157 2833 15 10 1118 -4875 -3591 -4172 -4176 -2224 -1309 409 -2028 -1165 -1476 -2849 -1499 -3033 -1269 -3831 -1499 -1889 -818 181 -602 81 493 783 -982 225 -734 662 1052 349 792 1280 3438 1850 623 -528 1542 998 408 -284 -15 -121 -655 -7 14 439 384 575 -128 -604 -1049 -451 -911 -866 -4824 -1327 -5808 -208 -2896 900000 -3586 -968 900000 -4335 -1576 620 479 69 900000 900000 -61 244 -54 -1263 900000 -322 -2036 1068 -190 -399 -1895 -105 -2579 455 -1627 -168 505 -2008 -1193 -858 476 -706 1885 -535 1802 32 1759 1395 1769 1321 1051 2372 559 3076 2288 2681 1359 2051 3423 1491 1517 1475 3010 2486 2272 2904 3066 1837 2418 2585 2534 3461 2878 1149 -818 2177 1066 252 -1671 -1163 51 756 332 695 -157 -656 -1064 -428 590 1450 8 5 523 -2301 -1659 -2062 -2351 -1442 -987 347 -1916 -1097 -1316 -2342 -1121 -2288 -991 -3255 -1330 -1836 -879 219 -821 117 728 1135 -1400 311 -1037 964 1601 546 1214 1876 4746 2503 824 -688 1964 1372 641 -512 -31 -264 -1534 -18 36 1216 1091 1645 -364 -1636 -2671 -1075 SS 20240728T110901.5Z 8975.464600 220 1 51.74 2 78.86 74.74 22.25 180.86 0.00 1 0.00 1 0 17 5.171e-01 1.235e-02 5.092e-02 1.801e-03 6.893464e-01 1.024662e-03 8.519496e-03 -6.000000e+00 3.195252e-01 232.30 -2.00 3.48 -2.00 320.80 0.00e+00 2.820956e-03 4.560656e-04 5.087096e-03 -6.000000e+00 1.422636e-02 290.78 -2.00 20.00 -2.00 320.14 0.00e+00 4.990 0.002 302.00 328.00 3 1.3145e+00 3.3497e-03 6.6209e-02 -6.0000e+00 7.9981e-01 1.2500e-01 4.4320e-03 4.8151e-02 -6.0000e+00 8.5876e-01 -2.1137e-01 4.0578e-03 2.1640e-02 -6.0000e+00 5.1248e-01 7.7634e-02 1.9750e-03 5.2704e-03 -6.0000e+00 2.1877e-01 4.6562e-04 -1.1543e-03 5.2058e-05 1.0997e-04 -6.0000e+00 1.5945e-02 -3.1739e-02 1.7786e-04 12 8 8 10 0 0 8.94 23.66 0.62 -0.03174 -0.04041 139 23 1 5 0 372.170 26.32 20.01 23.66 29.40 4.6 1021.79 -182011 -147139 -143644 -165728 -200461 -149434 -148435 -158550 -172787 -158632 -165322 -112310 -129544 -108561 -92059 -41618 -56497 -41374 -37850 -36312 6540 -16556 -13861 -24147 -28198 -13455 -24028 -7924 -22994 -41679 -12537 -20011 -14751 -9943 -7246 4637 -16105 2238 2607 -3178 1731 1640 2383 8298 8216 4727 8548 4076 4896 8504 3124 5563 7196 9570 5286 2933 1614 4487 3255 2526 832 2630 4221 5788 3087 -1131 1188 1568 3737 5254 2970 2776 1960 227 859 -1221 -2588 -4470 -4066 -2609 -1772 -2885 -1107 -1117 -103 -59 691 1287 1354 589 132 -1709 -1105 -2019 -1589 -572 115 281 -112 -720 -1380 -2056 -1440 -912 -1477 -1505 -820 -327 278 1156 1046 423 170 -159 -175 -96 197 376 506 631 624 1255 1474 833 355 -541 -193 252 -69 -44 -147 -716 -570 -251 -27 186 537 613 75 -83 -536 -840 -2122 -1457 -1514 -2197 -3553 -1551 -1612 -2127 -3007 -2634 -3168 -1578 -2685 -2345 -2134 -709 -1290 -908 -878 -880 107 -346 -295 -615 -807 -352 -718 -199 -670 -1581 -418 -861 -697 -486 -344 196 -917 125 176 -272 161 165 252 854 863 526 941 488 613 1110 478 931 1308 1854 1142 679 389 1053 758 587 204 694 1239 1867 983 -376 387 531 1364 2144 1365 1337 944 105 363 -478 -972 -1751 -1776 -1323 -1041 -1956 -744 -804 -79 -48 584 1109 1163 492 104 -1294 -812 -1563 -1370 -565 120 334 -134 -864 -1694 -2324 -1507 -953 -1643 -1774 -1022 -406 379 1742 1619 695 281 -256 -269 -143 297 589 834 1070 1048 2027 2293 1255 553 -824 -290 400 -114 -76 -281 -1386 -1167 -546 -59 425 1251 1442 176 -187 -1210 -1808 SS 20240728T111441.2Z 8975.468533 223 1 51.65 2 77.80 75.58 22.27 184.36 0.00 1 0.00 1 0 17 3.955e-01 1.050e-02 3.396e-02 1.306e-03 6.413039e-01 7.337367e-04 7.725371e-03 -6.000000e+00 2.443978e-01 232.30 -2.00 3.48 -2.00 320.43 0.00e+00 1.332047e-03 2.902154e-04 3.539367e-03 -6.000000e+00 1.088070e-02 290.78 -2.00 20.00 -2.00 319.73 0.00e+00 4.591 0.002 302.00 328.00 3 1.1865e+00 2.2758e-03 5.9374e-02 -6.0000e+00 6.1176e-01 6.8110e-02 2.8924e-03 4.0192e-02 -6.0000e+00 6.5683e-01 -1.3408e-01 2.5698e-03 1.8078e-02 -6.0000e+00 3.9197e-01 4.7151e-02 1.2880e-03 4.8260e-03 -6.0000e+00 1.6734e-01 8.1882e-04 -1.0652e-03 3.8147e-05 7.2525e-05 -6.0000e+00 1.2195e-02 -3.1751e-02 2.0279e-04 12 8 8 10 0 0 8.36 23.66 0.50 -0.03175 -0.03975 193 31 1 5 0 267.600 26.41 20.00 23.66 29.96 4.6 1025.02 -132197 -133820 -95253 -129854 -155202 -120333 -125931 -127836 -143144 -107593 -118643 -97456 -82203 -67747 -61025 -36270 -27585 -28155 -18440 -16677 -5727 -15623 -20246 -24913 -15291 -21063 -13705 -12415 -23563 -26522 -13993 -17106 -9141 -11308 -8586 -5125 -11556 -2540 -941 -2770 1333 -447 1874 4084 2700 3339 2939 2800 2717 1626 3664 3168 5075 5770 2920 3221 2485 2941 2506 528 686 2386 3895 3474 2913 31 954 757 2511 3156 2090 2234 1201 806 269 -1313 -2623 -3859 -3397 -2543 -1586 -2425 -1674 -1313 -194 -53 932 1358 1132 845 308 -854 -1005 -1465 -1293 -367 205 499 113 -806 -1316 -1818 -1313 -1025 -1196 -1305 -813 -434 587 926 1055 504 301 -93 -245 -37 76 527 525 457 532 893 1082 588 428 -254 -56 109 27 -141 -306 -526 -446 -252 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