File name: Pandora75s1_EssexMD_20260221_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20260222T052603.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20260221_L1_smca1c3d20230525p1-8.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: 20260221 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 session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20260221T122242.0Z 9548.515764 51 1 51.20 2 84.70 108.13 104.63 60.70 0.00 1 0.00 1 0 17 7.866e-01 4.972e-02 3.650e-01 2.182e-02 1.006751e+00 1.301906e-02 1.059785e-02 -6.000000e+00 4.817822e-01 225.29 -2.00 3.48 -2.00 322.27 0.00e+00 -1.220980e-02 6.321430e-03 1.068678e-02 -6.000000e+00 2.302686e-02 276.95 -2.00 20.00 -2.00 321.81 0.00e+00 9.418 0.015 302.00 328.00 3 6.0360e-01 4.9010e-02 1.3003e-01 -6.0000e+00 1.2001e+00 2.0054e+00 5.4993e-02 1.0460e-01 -6.0000e+00 1.3145e+00 -2.5564e+00 2.7139e-02 2.7711e-02 -6.0000e+00 7.7073e-01 9.8467e-01 1.5725e-02 1.6362e-02 -6.0000e+00 3.1970e-01 8.8114e-06 1.0468e-03 6.3623e-04 1.5657e-04 -6.0000e+00 2.5464e-02 1.7553e-02 -2.0326e-05 12 8 8 10 0 0 31.97 22.92 2.16 0.01755 0.02542 23 4 1 5 0 2225.720 25.79 20.00 22.92 9.82 7.8 908.40 -17970 248611 900000 900000 46205 77772 232009 900000 42452 900000 86887 341748 900000 900000 900000 58585 158957 89281 45464 21446 900000 900000 186075 21492 142967 66244 67599 40569 -56086 900000 -9672 -21221 900000 6714 900000 98168 170721 -75247 120828 224392 100498 145791 900000 88570 8651 900000 49386 25950 -5704 900000 -18414 57587 162482 900000 71331 900000 1821 -21537 29143 -24153 41303 182852 36764 3228 121768 18512 78774 68437 95537 75387 -18003 283954 -614 -7650 -19449 49395 16416 147814 14752 -41630 -645 -3656 12046 675 10275 9979 20823 5023 840 4288 9020 -1071 5080 -6214 -12304 17929 3642 -7694 1445 12878 -2587 -12651 -9635 -5273 -1564 -12757 -1738 3158 -1060 -1588 12353 -954 -1389 -1739 887 8181 -699 -1813 589 1531 4095 1383 4783 -5666 -2659 -10644 4341 6372 2939 2840 -1702 720 -2549 158 -746 -1900 -590 3001 -3333 4115 949 1582 -2327 -5334 5271 900000 900000 3755 3985 4919 900000 3355 900000 4187 7246 900000 900000 900000 4969 4902 5335 3943 2150 900000 900000 3945 1781 3582 3448 3127 2111 -6811 900000 -802 -2168 900000 531 900000 2649 3620 -13344 3493 4758 4262 3934 900000 3756 750 900000 2570 1701 -528 900000 -2236 3907 4134 900000 4991 900000 259 -3653 2719 -3534 3065 3877 3352 452 5422 2316 5512 5659 6685 7193 -4657 6021 -128 -1541 -3876 4399 1949 5014 2190 -12975 -157 -1054 3269 219 3202 3258 6269 1778 303 1418 2677 -341 1562 -2372 -5844 7489 2069 -5612 1036 8191 -1794 -8745 -5965 -3131 -945 -9169 -1209 2324 -935 -1640 12651 -1213 -1838 -2304 1123 9558 -916 -2518 832 2156 5436 1798 5791 -7400 -3287 -14037 5044 8079 4517 5071 -3588 1628 -5871 384 -1952 -5241 -1634 8024 -9220 9899 2392 3703 -5585 SS 20260221T123550.6Z 9548.524891 54 1 51.43 2 82.30 110.31 102.43 62.93 0.00 1 0.00 1 0 17 5.102e-01 2.066e-02 2.118e-01 4.215e-03 8.563191e-01 2.378248e-03 1.030691e-02 -6.000000e+00 3.017428e-01 225.29 -2.00 3.48 -2.00 321.89 0.00e+00 1.461291e-02 1.322753e-03 5.829184e-03 -6.000000e+00 1.340477e-02 276.95 -2.00 20.00 -2.00 321.42 0.00e+00 6.948 0.006 302.00 328.00 3 8.8781e-01 8.6153e-03 8.4036e-02 -6.0000e+00 7.4577e-01 6.9165e-01 1.2022e-02 4.7638e-02 -6.0000e+00 8.1218e-01 -9.5698e-01 1.1993e-02 3.0502e-02 -6.0000e+00 4.8373e-01 3.8522e-01 5.4999e-03 1.6354e-02 -6.0000e+00 2.0126e-01 9.1090e-05 -8.0264e-04 1.1839e-04 3.4223e-04 -6.0000e+00 1.5806e-02 1.6903e-02 -1.1540e-04 12 9 8 11 8 0 99.40 22.92 0.77 0.01690 0.01087 87 14 1 5 0 591.070 25.79 19.99 22.92 11.58 7.8 921.34 -266813 -107486 900000 -58588 -124924 -164999 32588 -202509 -148112 -115698 -125610 -88987 -39342 -53114 -16669 -18872 -27874 -3410 -32705 -41660 43875 167041 6961 -1518 -35766 -10023 -74253 -44724 -27319 96466 295 -30811 173523 -12339 10328 41141 17123 -32650 41820 29652 12568 75956 50366 46837 7943 41336 36362 24443 28508 47713 17651 27267 36129 42198 24091 34068 15041 10029 9125 11810 18602 12089 14982 17056 17330 14015 21504 13462 11249 11774 10000 15580 7707 1127 2893 892 2219 2183 -2238 -3476 -1552 -1165 -1707 -913 -1676 983 183 2258 137 -632 -1671 -2795 -3260 -3660 -5207 -1829 -60 -740 137 -916 -1154 -3135 -2732 -3478 -3150 -3439 -2395 -364 -202 455 1484 -177 -409 -1206 -1259 -575 -744 -199 444 1306 2394 2064 2128 1084 1883 -307 937 1380 487 827 -41 294 -147 -269 27 -264 466 626 171 278 -597 -871 -1673 -13059 -1245 900000 -416 -1540 -2774 134 -4767 -2047 -1167 -1455 -831 -294 -615 -174 -247 -458 -48 -660 -934 410 686 88 -21 -695 -150 -2081 -919 -539 634 6 -1102 927 -446 289 828 464 -1650 1169 1072 594 2029 1822 1809 464 1784 1719 1376 1652 2490 1386 2163 2866 3382 2416 3150 1681 1150 1020 1272 1957 1515 2100 2650 2870 2436 3544 2545 2409 2826 2647 4002 2078 301 684 195 461 484 -603 -1146 -594 -510 -826 -468 -921 555 98 1216 82 -368 -924 -1494 -1754 -2136 -3245 -1311 -50 -715 142 -960 -1137 -2845 -2273 -2903 -2760 -3206 -2371 -388 -242 569 2062 -268 -633 -1849 -1871 -835 -1105 -309 715 2119 3750 3106 3078 1531 2554 -416 1264 2019 827 1602 -83 640 -345 -628 67 -683 1220 1647 445 682 -1484 -2044 -3889 SS 20260221T124641.7Z 9548.532427 57 1 51.56 2 80.34 112.14 100.58 64.73 0.00 1 0.00 1 0 17 6.112e-01 1.355e-02 8.343e-02 1.982e-03 7.488346e-01 1.081011e-03 8.950354e-03 -6.000000e+00 3.617135e-01 225.29 -2.00 3.48 -2.00 321.26 0.00e+00 7.941046e-03 5.227541e-04 5.094646e-03 -6.000000e+00 1.583874e-02 276.95 -2.00 20.00 -2.00 320.76 0.00e+00 5.689 0.003 302.00 328.00 3 9.7749e-01 3.5630e-03 7.0638e-02 -6.0000e+00 8.9405e-01 2.2831e-01 4.9317e-03 4.4156e-02 -6.0000e+00 9.7344e-01 -3.2486e-01 5.1333e-03 2.8571e-02 -6.0000e+00 5.7951e-01 1.2719e-01 2.4275e-03 1.2563e-02 -6.0000e+00 2.4041e-01 3.2385e-04 -1.8131e-05 5.6794e-05 2.1912e-04 -6.0000e+00 1.8904e-02 1.4988e-02 -2.0242e-05 12 8 8 10 0 0 99.85 22.93 0.60 0.01499 0.01485 216 35 1 5 0 238.660 25.79 20.00 22.93 13.70 7.8 936.20 -277494 -228251 -50976 -200140 -197989 -215708 -160975 -203947 -181978 -176424 -179328 -107017 -123669 -104695 -97979 -75112 -59991 -37788 -73457 -58416 -20949 -47749 -18802 -49119 -48045 -44900 -38263 -47602 -45242 -20835 -17441 -24089 3801 -12436 -15262 -11375 -7240 -16002 8441 7956 6335 8002 12288 11269 6714 9354 12088 4965 6944 14089 7582 10850 9821 15032 7684 8628 2378 4191 1957 3707 3831 6673 7507 6730 6148 4977 5188 2703 4358 3585 3075 4697 2035 237 -139 -2027 -3000 -3214 -3438 -1537 -2106 -1577 -1123 -1462 -1155 -261 832 1313 1299 -154 588 -1474 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