File name: Pandora75s1_EssexMD_20240526_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240528T135807.7Z 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_20240526_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: 20240526 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 20240526T105122.8Z 8912.452347 209 1 51.79 2 78.88 71.56 82.19 222.10 0.00 1 0.00 1 0 17 5.534e-01 1.488e-02 3.249e-01 6.860e-03 6.908941e-01 4.045706e-03 8.703847e-03 -6.000000e+00 3.421819e-01 231.84 -2.00 3.48 -2.00 321.55 0.00e+00 8.809023e-03 2.163582e-03 6.277475e-03 -6.000000e+00 1.490905e-02 285.76 -2.00 20.00 -2.00 321.01 0.00e+00 4.999 0.002 302.00 328.00 3 2.5585e+00 1.4789e-02 6.7849e-02 -6.0000e+00 8.5740e-01 2.2023e-01 2.0421e-02 4.9012e-02 -6.0000e+00 9.2222e-01 -3.4269e-01 1.9934e-02 2.7475e-02 -6.0000e+00 5.4890e-01 1.3009e-01 9.2729e-03 9.6177e-03 -6.0000e+00 2.3293e-01 1.2916e-04 -1.0658e-03 2.1394e-04 2.3400e-04 -6.0000e+00 1.7057e-02 -3.4152e-02 1.8270e-04 12 9 8 11 16 0 95.08 23.45 0.76 -0.03415 -0.04216 41 7 1 5 0 1263.100 26.21 19.99 23.45 29.16 4.1 1027.32 110102 -207506 -69017 69977 -162002 -255391 -223505 -216886 -76114 -163619 -64269 -127085 -98845 -53527 -90859 900000 -75071 -20356 -89724 -34041 15956 110288 -51710 -60288 75632 -24516 49756 -46655 90500 -28434 117299 -32664 -4074 -33214 7189 69486 -11314 -6701 7980 30711 29110 16556 21053 39523 13727 17711 24988 266 23552 6954 23145 -2899 19665 13827 15760 10253 5230 2949 890 6234 1935 12436 2525 13048 5446 15106 636 4498 2464 7029 5471 3403 2087 -2815 334 -2954 1739 -3612 -5449 -5839 -2146 -2836 -3688 556 -344 -1052 -292 1333 751 2851 116 -2728 -3358 -5006 940 -1992 1666 -473 237 170 -1417 -682 -2130 -2033 -1902 -522 -1626 -40 186 780 422 1047 -177 -497 -1372 -421 530 7 849 446 1234 817 1291 908 261 409 -158 465 -752 716 -1175 157 -669 -16 320 130 661 258 3 -101 -370 -755 736 -3354 -462 468 -1715 -6547 -4235 -4110 -509 -2288 -430 -1468 -1082 -488 -1547 900000 -1552 -272 -2618 -600 175 738 -1132 -1503 506 -462 454 -1106 605 -622 784 -1072 -116 -1373 197 1014 -399 -261 320 1158 1257 876 1126 1826 843 1077 1458 23 1685 632 1981 -359 2131 1720 2034 1447 790 454 137 905 305 1946 495 2574 1227 3091 151 1065 653 2012 1745 1156 710 -951 100 -830 441 -990 -1709 -2171 -900 -1365 -1968 304 -203 -664 -192 884 501 1794 71 -1607 -1942 -3070 608 -1542 1445 -478 256 185 -1472 -642 -1891 -1805 -1783 -512 -1718 -45 231 1072 640 1667 -288 -784 -2090 -617 779 11 1370 744 2023 1303 1978 1343 374 566 -218 676 -1238 1303 -2391 339 -1537 -39 750 320 1658 657 8 -269 -935 -1820 SS 20240526T105747.5Z 8912.456800 212 1 51.19 2 77.70 72.49 82.99 223.21 0.00 1 0.00 1 0 17 4.468e-01 1.272e-02 1.968e-01 3.415e-03 6.464941e-01 1.949505e-03 7.643382e-03 -6.000000e+00 2.757096e-01 231.84 -2.00 3.48 -2.00 320.79 0.00e+00 7.538312e-04 8.444290e-04 3.521343e-03 -6.000000e+00 1.250772e-02 285.77 -2.00 20.00 -2.00 320.20 0.00e+00 4.555 0.002 302.00 328.00 3 2.8720e+00 6.2752e-03 5.9598e-02 -6.0000e+00 6.9052e-01 5.6374e-02 8.3107e-03 4.1265e-02 -6.0000e+00 7.4236e-01 -1.4185e-01 7.9330e-03 1.9463e-02 -6.0000e+00 4.4176e-01 5.0733e-02 3.8487e-03 5.1374e-03 -6.0000e+00 1.8825e-01 1.5794e-04 -1.0064e-03 1.0308e-04 8.6724e-05 -6.0000e+00 1.3791e-02 -3.4373e-02 1.9355e-04 12 8 8 10 0 0 98.12 23.44 0.45 -0.03437 -0.04194 56 9 1 5 0 913.970 26.21 20.00 23.44 29.67 4.1 1031.16 -71986 -159056 -127254 -10077 -118551 -70802 149506 -164162 -194328 -161785 -149265 900000 -85068 -56953 -113152 137981 -62996 -42813 19419 -32213 -2001 38763 12242 -31859 -10053 -6267 86941 11563 30144 -35815 12123 -17649 -5179 2805 -7491 34312 -25526 8553 246 -10374 -1363 -3708 404 -5840 10218 -88 13059 -1834 12239 7461 4505 4550 6748 18049 1662 5034 -3315 5914 6260 1494 -454 1915 4579 2238 1180 299 -1134 -2953 4743 7503 1968 1928 331 1185 -416 2071 -3503 -1879 -3612 -3478 -1488 -4479 -1600 -164 226 -19 1345 1302 1626 583 -662 -1685 -592 -2900 -2454 375 296 1454 284 -110 -1971 -1740 -1256 -262 -1298 -1172 -970 -575 105 826 1080 795 210 -475 -30 -682 229 301 64 840 169 1279 1324 274 448 69 -243 217 -465 139 122 -1045 -441 -359 -179 -59 743 917 127 -88 -745 -577 -305 -1926 -1233 -34 -1005 -364 498 -2584 -4706 -3134 -2756 900000 -1133 -724 -3151 459 -1615 -998 265 -783 -37 490 212 -933 -258 -165 926 258 552 -1348 327 -758 -226 122 -362 1097 -1623 456 17 -977 -134 -405 45 -708 1072 -10 1387 -233 1418 974 671 756 1209 3149 365 1121 -828 1351 1399 347 -111 499 1305 725 407 103 -397 -1092 1783 3113 865 888 154 572 -188 827 -1391 -745 -1616 -1818 -807 -2850 -1087 -118 173 -15 1139 1132 1407 492 -530 -1284 -434 -2250 -2104 359 300 1650 350 -136 -2346 -1894 -1271 -263 -1399 -1337 -1174 -746 148 1187 1693 1312 350 -770 -46 -1022 343 469 105 1418 285 2073 2073 417 654 98 -342 320 -764 252 225 -2084 -922 -745 -393 -135 1742 2176 301 -200 -1618 -1277 SS 20240526T110358.8Z 8912.461097 215 1 51.71 2 76.55 73.39 83.79 224.26 0.00 1 0.00 1 0 17 3.688e-01 1.224e-02 2.379e-01 6.152e-03 6.016941e-01 3.511818e-03 7.569683e-03 -6.000000e+00 2.275560e-01 231.84 -2.00 3.48 -2.00 321.02 0.00e+00 3.195924e-03 1.599182e-03 5.143490e-03 -6.000000e+00 9.934811e-03 285.77 -2.00 20.00 -2.00 320.44 0.00e+00 4.194 0.001 302.00 328.00 3 3.3570e+00 1.1681e-02 5.8274e-02 -6.0000e+00 5.6997e-01 1.0728e-01 1.5440e-02 4.5542e-02 -6.0000e+00 6.1267e-01 -1.7062e-01 1.4400e-02 2.0953e-02 -6.0000e+00 3.6460e-01 6.1082e-02 6.9296e-03 5.0028e-03 -6.0000e+00 1.5505e-01 1.3897e-04 -1.1110e-03 1.9349e-04 1.2036e-04 -6.0000e+00 1.1366e-02 -3.4651e-02 2.0889e-04 12 9 8 11 16 0 97.45 23.44 0.64 -0.03465 -0.04300 28 5 1 5 0 1846.540 26.21 20.00 23.44 30.11 4.1 1032.86 -117902 -6014 -42247 -41924 -177364 -111664 -192826 -61723 -139457 13776 -130475 -125748 -42429 -93602 -56416 -41051 -35844 9763 -1533 19880 -37296 43054 -26942 -27992 -24931 -43558 -13976 9492 -24084 -3664 -23441 14819 -7571 20588 -6960 -20346 -8067 -2955 513 -3824 17701 -6938 8842 8943 -3296 10811 2510 11384 2584 5011 4199 3800 -2456 12800 1578 132 7998 1788 3277 4242 7028 6026 8125 6212 7059 4484 -3822 2801 347 4183 2892 3277 1066 1588 -1118 -4142 -4651 -1486 -1752 -3757 -1627 -1989 -2436 -807 -1130 -916 2722 -488 1289 706 -1295 -342 -2347 -334 -2511 -461 -945 1100 -313 -886 -496 -1661 -1141 -1292 -638 -1596 -1851 -298 1399 340 764 1101 -233 -549 -207 910 23 527 955 115 423 760 1208 359 691 -209 35 -530 -177 301 -89 -982 -210 34 -101 -209 512 428 12 -442 -65 -348 -1061 -36 -253 -251 -3869 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