File name: Pandora75s1_EssexMD_20240801_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T080337.4Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240801_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: 20240801 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 20240801T111217.3Z 8979.466867 165 1 51.59 2 78.82 76.04 45.13 87.46 0.00 1 0.00 1 0 17 4.454e-01 1.852e-02 1.574e-01 4.877e-03 6.157325e-01 2.694374e-03 7.754374e-03 -6.000000e+00 2.707730e-01 232.16 -2.00 3.48 -2.00 321.02 0.00e+00 2.966621e-03 1.262007e-03 6.066261e-03 -6.000000e+00 1.243116e-02 290.87 -2.00 20.00 -2.00 320.32 0.00e+00 4.973 0.002 302.00 328.00 3 3.3974e+00 9.2277e-03 6.6755e-02 -6.0000e+00 6.7702e-01 1.3629e-01 1.2003e-02 5.1972e-02 -6.0000e+00 7.3133e-01 -2.9273e-01 1.0221e-02 2.0017e-02 -6.0000e+00 4.3707e-01 1.2292e-01 4.8922e-03 4.5571e-03 -6.0000e+00 1.8222e-01 6.6745e-05 -1.1053e-03 1.5055e-04 1.0292e-04 -6.0000e+00 1.3857e-02 5.8927e-03 -5.7722e-05 12 8 8 10 0 0 54.02 23.67 1.35 0.00589 -0.00241 27 4 1 5 0 1910.440 26.41 20.00 23.67 34.05 4.6 1050.81 -153813 -136070 900000 -105766 -157337 -164805 4279 -136431 -158322 -60099 -141833 168334 -143472 900000 -82986 -58465 -44768 -50232 -61615 -55711 8310 50692 -27573 -45263 -1082 -21099 -11768 -47725 -14983 68766 16263 -22158 7406 -42 15244 44388 -7600 2315 20120 27517 -1271 22104 18700 16572 9057 9480 22538 349 6650 17269 11162 11412 18637 29879 11957 18467 -4773 6542 2307 487 943 11659 4841 6573 6105 -12374 5560 -890 10847 969 3046 5972 -1304 -2763 1465 1762 -712 -966 -4076 -4178 -2996 -1866 -2785 761 -3330 451 1452 1710 866 -637 1459 -3141 -1082 -3273 -1920 378 577 -1397 -136 -21 -1793 -1882 -2373 -1599 -4161 -1347 -1598 254 457 1163 2850 696 120 -299 68 993 20 -781 342 921 1776 785 1119 408 -273 -801 143 1901 548 442 268 -1036 -661 -776 -24 -427 397 677 25 466 84 -292 -1237 -2792 -2411 900000 -1463 -3400 -3704 20 -2654 -4243 -649 -3678 800 -5085 900000 -2475 -1617 -1341 -1744 -2578 -2305 186 747 -918 -1915 -31 -782 -403 -2292 -513 1079 495 -1159 327 -2 660 1435 -448 144 1263 1897 -132 1955 1796 1670 999 1059 2250 45 832 2069 1560 1763 2933 4546 2308 3477 -1162 1422 513 109 218 2644 1317 1941 1898 -4589 1708 -301 3564 397 1344 2681 -626 -1281 600 654 -254 -349 -1680 -2010 -1655 -1053 -1741 492 -2401 333 1119 1352 690 -498 1050 -2225 -727 -2316 -1483 327 575 -1607 -152 -24 -2113 -2040 -2423 -1631 -4616 -1543 -1952 300 591 1653 4349 1138 197 -479 103 1446 30 -1221 558 1550 2958 1285 1769 626 -405 -1155 201 2757 892 739 490 -2044 -1370 -1709 -52 -970 919 1587 58 1045 179 -643 -2705 SS 20240801T111804.6Z 8979.470886 168 1 51.54 2 77.73 76.90 44.04 88.31 0.00 1 0.00 1 0 17 3.193e-01 1.076e-02 1.118e-01 3.137e-03 5.811625e-01 1.718413e-03 6.849285e-03 -6.000000e+00 1.955144e-01 232.16 -2.00 3.48 -2.00 320.67 0.00e+00 8.109811e-04 7.289879e-04 3.698121e-03 -6.000000e+00 8.930928e-03 290.87 -2.00 20.00 -2.00 319.92 0.00e+00 4.565 0.002 302.00 328.00 3 3.1432e+00 5.5835e-03 5.7808e-02 -6.0000e+00 4.8882e-01 -1.7346e-02 7.1800e-03 3.9150e-02 -6.0000e+00 5.2810e-01 -5.6005e-02 6.3464e-03 1.6533e-02 -6.0000e+00 3.1449e-01 1.5613e-02 3.1090e-03 4.2886e-03 -6.0000e+00 1.3066e-01 1.3410e-04 -9.1641e-05 9.7755e-05 6.6980e-05 -6.0000e+00 9.9681e-03 3.7320e-03 -1.2375e-05 12 8 8 10 0 0 -19.58 23.67 0.98 0.00373 0.00304 43 7 1 5 0 1198.480 26.41 19.99 23.67 34.56 4.5 1053.63 -137482 -104925 900000 -21213 -131862 -147117 900000 -101683 -93612 -44570 -114675 -18360 -54554 43624 -58036 -54375 -55770 -30460 -49721 -41881 31354 1454 -23845 -34862 -10050 -9389 -21853 -34959 -28746 78963 -9691 -15828 11162 -11575 -5465 9524 -4124 -739 7241 6846 -7132 3392 3528 308 -356 262 2610 1000 48 5773 979 4179 5116 11938 6224 8319 -2871 2285 -1677 -782 517 4669 1716 2451 4202 -6325 492 -1072 3626 909 1780 3185 1480 -1465 -1036 -217 -927 -481 -1351 -1107 -1760 -2521 -1802 270 -1520 309 59 1403 1464 822 963 -669 -849 -1136 -779 767 201 -453 671 -766 -933 -2259 -835 -1567 -1537 -1765 -1273 -162 457 1277 1889 798 389 -261 -145 259 -119 -413 227 625 825 565 943 416 -97 -708 -81 656 433 -217 -249 -796 -535 -386 -275 -105 425 736 236 373 23 -359 -779 -1529 -992 900000 -94 -1686 -2167 900000 -1159 -1119 -395 -2209 -152 -784 293 -1331 -1430 -1688 -792 -1703 -1409 527 34 -751 -1333 -326 -322 -869 -1561 -1195 1183 -403 -818 502 -701 -311 472 -257 -53 580 657 -894 415 454 42 -50 37 369 148 8 904 177 813 1083 2562 1507 2066 -822 624 -470 -216 146 1382 585 913 1607 -2416 191 -436 1401 408 873 1616 762 -741 -482 -91 -405 -211 -597 -567 -1050 -1718 -1336 210 -1183 252 51 1224 1275 696 764 -553 -678 -934 -645 714 216 -509 798 -923 -1065 -2603 -893 -1705 -1775 -2169 -1524 -206 629 1922 2851 1271 619 -403 -212 394 -182 -617 356 1012 1334 893 1437 662 -149 -1054 -118 993 672 -375 -468 -1491 -1051 -804 -570 -228 943 1653 530 806 51 -759 -1631 SS 20240801T112322.2Z 8979.474562 171 1 51.50 2 76.73 77.69 43.04 89.09 0.00 1 0.00 1 0 17 2.742e-01 1.006e-02 8.424e-02 2.299e-03 5.471387e-01 1.247093e-03 6.490291e-03 -6.000000e+00 1.667744e-01 232.16 -2.00 3.48 -2.00 320.32 0.00e+00 2.155927e-03 4.729491e-04 3.043756e-03 -6.000000e+00 7.530263e-03 290.87 -2.00 20.00 -2.00 319.54 0.00e+00 4.246 0.001 302.00 328.00 3 2.9539e+00 3.8740e-03 5.2935e-02 -6.0000e+00 4.1708e-01 -1.9160e-03 4.8064e-03 3.3677e-02 -6.0000e+00 4.5043e-01 -6.3911e-02 4.0070e-03 1.5487e-02 -6.0000e+00 2.6897e-01 1.8205e-02 2.0089e-03 3.8225e-03 -6.0000e+00 1.1183e-01 2.2451e-04 7.6197e-05 7.1142e-05 6.9186e-05 -6.0000e+00 8.4999e-03 3.9320e-03 2.5924e-05 12 8 8 10 0 0 7.43 23.67 0.80 0.00393 0.00450 60 10 1 5 0 858.250 26.41 20.01 23.67 35.02 4.5 1057.45 -113494 -82438 72596 -62721 -80494 -104426 -62411 -113412 -109402 -76527 -83359 -16962 -56142 -38347 -45104 -40871 -26739 -19842 -31477 -26321 -28 4631 -19175 -25968 -8650 -4173 -23430 -14545 -8695 12499 -6901 -16601 -578 -8883 -8004 -4625 -4148 1683 7320 3545 -2251 4461 3467 2894 2367 3840 2289 1705 1141 4529 1814 1108 4622 6016 5051 5460 966 125 -864 -260 628 3939 2379 2412 2758 -2550 941 -326 1882 1182 2034 2455 604 -950 -775 -1378 -1472 -1883 -2537 -3167 -1821 -1568 -2105 -1549 -1010 -35 605 1404 1220 517 1117 -552 -438 -859 -1076 -343 705 214 662 -476 -1369 -1806 -1403 -873 -1872 -1362 -653 25 257 1403 1341 594 428 -54 -365 342 95 8 361 233 641 357 1019 494 202 -582 118 411 142 97 -373 -534 -701 -138 -21 -85 166 577 188 246 -274 -380 -546 -1642 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