File name: Pandora75s1_EssexMD_20240627_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240708T143805.8Z 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_20240627_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: 20240627 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 20240627T135058.8Z 8944.577069 230 1 51.60 2 44.64 95.87 70.44 242.88 0.00 1 0.00 1 0 17 1.041e-02 7.847e-03 8.627e-04 5.413e-04 2.053355e-01 2.982101e-04 2.474482e-03 -6.000000e+00 6.450287e-03 232.83 -2.00 3.48 -2.00 315.30 0.00e+00 5.144081e-04 2.708747e-05 1.108932e-04 -6.000000e+00 2.841461e-04 288.84 -2.00 20.00 -2.00 314.60 0.00e+00 1.403 0.000 302.00 328.00 3 3.2914e+00 7.7230e-04 1.7746e-02 -6.0000e+00 1.6179e-02 2.8180e-02 8.5015e-04 1.0647e-02 -6.0000e+00 1.7365e-02 -6.0479e-03 4.8706e-04 5.1545e-03 -6.0000e+00 1.0345e-02 -5.4661e-03 2.1683e-04 1.4155e-03 -6.0000e+00 4.4073e-03 3.7869e-03 -7.5814e-04 1.6955e-05 2.0930e-05 -6.0000e+00 3.2094e-04 -3.7950e-02 2.2332e-04 11 8 0 10 0 0 99.94 23.64 0.40 -0.03795 -0.04365 132 21 1 5 0 390.890 26.32 20.00 23.64 33.09 4.4 1049.71 -306 456 60 -376 -2324 -1593 -1818 -1060 -686 -1092 -2228 -2252 -1301 -1104 -318 275 612 817 1698 1392 1809 1480 1504 1530 1191 1371 766 219 -13 -66 189 930 346 -1150 -2854 -3460 -3181 -2344 -787 -825 -686 -566 -81 -99 27 316 -328 -345 -520 -114 394 795 961 1181 833 980 883 454 390 485 954 1425 1836 1470 639 -204 -444 -508 615 1230 738 831 695 412 4 -767 -1495 -1783 -1782 -1569 -1671 -1932 -1847 -1563 -823 -457 210 624 649 532 319 31 -498 -294 -89 144 653 727 241 -258 -858 -1322 -817 -526 -731 -934 -590 -257 368 813 927 568 378 6 -165 -59 175 449 581 429 325 409 536 474 446 113 86 208 284 33 -197 -430 -274 36 20 98 320 332 -78 -160 -629 -957 -81 132 18 -109 -623 -432 -502 -289 -205 -348 -723 -736 -452 -395 -126 119 277 353 750 634 836 686 705 744 606 717 403 111 -6 -30 88 454 180 -623 -1515 -1805 -1762 -1372 -501 -572 -523 -428 -63 -77 21 244 -250 -269 -396 -86 306 613 779 999 690 825 753 388 330 409 823 1298 1696 1428 621 -187 -399 -443 552 1152 757 850 715 411 4 -727 -1368 -1548 -1586 -1451 -1631 -1973 -2014 -1711 -954 -539 259 759 790 652 380 34 -527 -314 -93 165 782 908 303 -322 -1066 -1611 -952 -628 -896 -1163 -768 -348 498 1153 1311 808 537 8 -211 -75 218 583 771 579 451 564 721 636 592 144 105 254 363 43 -267 -602 -375 51 29 147 494 503 -119 -249 -953 -1414 SS 20240627T140933.6Z 8944.589973 236 1 18.89 2 41.08 99.32 73.54 246.31 0.00 1 0.00 1 0 17 1.007e-02 7.844e-03 1.101e-03 7.280e-04 1.948138e-01 4.011649e-04 2.351614e-03 -6.000000e+00 6.239322e-03 232.83 -2.00 3.48 -2.00 315.06 0.00e+00 5.117854e-04 3.499584e-05 8.840198e-05 -6.000000e+00 2.748534e-04 288.84 -2.00 20.00 -2.00 314.39 0.00e+00 1.325 0.000 302.00 328.00 3 2.9777e+00 1.0374e-03 1.6796e-02 -6.0000e+00 1.5650e-02 3.0463e-02 1.1417e-03 1.0116e-02 -6.0000e+00 1.6797e-02 -7.0242e-03 6.5306e-04 4.8955e-03 -6.0000e+00 1.0007e-02 -5.1969e-03 2.8837e-04 1.3461e-03 -6.0000e+00 4.2631e-03 5.7117e-03 -7.5095e-04 2.2800e-05 2.0390e-05 -6.0000e+00 3.1044e-04 -3.8018e-02 2.2165e-04 12 9 1 12 1 1 99.98 23.64 0.40 -0.03802 -0.04366 71 32 1 5 0 262.310 26.32 19.99 23.64 33.03 4.3 1047.83 -321 77 -129 -578 -1706 -1799 -1349 -730 -749 -1102 -1899 -2151 -1819 -764 -180 404 398 679 1451 1407 1784 1342 1174 1390 1445 1373 749 102 105 299 359 646 297 -1012 -3006 -3264 -3101 -2127 -919 -996 -625 -601 -205 -53 97 237 -168 -542 -511 -180 465 773 786 1152 815 971 796 541 443 392 937 1284 1931 1401 611 -226 -602 -425 540 1041 772 838 651 477 -51 -875 -1546 -1822 -1665 -1570 -1746 -1876 -1849 -1588 -764 -379 204 664 716 473 399 -119 -357 -251 -165 56 557 688 271 -232 -841 -1375 -830 -467 -803 -940 -602 -265 440 839 900 622 406 -53 -111 -108 180 386 568 417 375 339 480 431 376 66 110 441 332 92 -103 -503 -362 178 62 149 315 203 18 -210 -596 -1084 -98 25 -41 -191 -516 -508 -385 -225 -253 -365 -639 -729 -657 -304 -74 180 186 324 708 706 908 685 607 693 749 733 403 52 54 148 181 342 156 -550 -1604 -1705 -1720 -1249 -627 -741 -481 -485 -161 -42 76 185 -136 -425 -389 -135 359 629 636 971 710 859 713 485 393 347 848 1167 1866 1357 591 -216 -535 -384 478 1012 782 848 663 494 -50 -817 -1389 -1551 -1449 -1422 -1757 -1970 -1979 -1787 -870 -440 248 830 895 571 468 -133 -387 -261 -178 63 651 840 347 -295 -1019 -1633 -943 -544 -962 -1193 -766 -351 582 1163 1293 896 562 -71 -143 -132 227 485 731 570 507 474 654 562 485 81 136 543 412 120 -136 -680 -499 252 90 216 470 310 28 -317 -874 -1613 SS 20240627T141020.2Z 8944.590511 238 1 24.34 2 40.93 99.47 73.67 246.44 0.00 1 0.00 1 0 17 1.008e-02 7.900e-03 4.136e-04 2.844e-04 1.944170e-01 1.572760e-04 2.347765e-03 -6.000000e+00 6.244511e-03 232.83 -2.00 3.48 -2.00 314.91 0.00e+00 4.530284e-04 1.327596e-05 8.893211e-05 -6.000000e+00 2.750851e-04 288.84 -2.00 20.00 -2.00 314.25 0.00e+00 1.322 0.000 302.00 328.00 3 1.4057e+00 4.0598e-04 1.6750e-02 -6.0000e+00 1.5663e-02 2.7648e-02 4.4605e-04 1.0078e-02 -6.0000e+00 1.6811e-02 -7.0968e-03 2.5548e-04 4.8796e-03 -6.0000e+00 1.0015e-02 -5.0367e-03 1.1228e-04 1.3379e-03 -6.0000e+00 4.2666e-03 2.7649e-02 -7.4718e-04 8.8913e-06 2.0552e-05 -6.0000e+00 3.1071e-04 -3.7881e-02 2.2250e-04 12 9 1 12 1 1 99.78 23.65 0.42 -0.03788 -0.04350 345 119 1 5 0 70.340 26.32 19.99 23.65 32.92 4.3 1047.54 -87 214 -98 -682 -1810 -1697 -1767 -757 -303 -1138 -1631 -2020 -1560 -957 -32 326 386 777 1441 1602 1537 1333 1568 1472 1320 1340 781 194 56 143 388 849 328 -1093 -2904 -3437 -3118 -2174 -938 -758 -615 -485 -270 -63 93 169 -192 -426 -511 -173 406 808 834 1045 819 920 824 480 326 433 912 1399 1885 1459 726 -190 -535 -452 429 1055 731 824 733 490 3 -804 -1466 -1850 -1782 -1553 -1691 -1905 -1927 -1626 -786 -360 220 674 644 501 249 -102 -489 -234 -42 139 592 716 277 -225 -814 -1338 -885 -483 -743 -924 -570 -225 373 804 844 621 371 21 -111 -50 207 450 591 418 340 466 464 421 430 107 112 306 337 64 -149 -390 -359 74 92 104 276 230 -40 -221 -577 -1043 -29 72 -34 -228 -597 -521 -551 -254 -103 -414 -600 -749 -616 -390 -15 150 185 382 726 827 809 702 833 763 713 746 437 104 30 73 202 462 179 -618 -1609 -1870 -1800 -1338 -636 -564 -478 -378 -215 -51 75 135 -157 -338 -393 -132 317 664 688 898 695 793 719 419 281 373 804 1302 1790 1457 724 -179 -488 -398 390 1008 733 865 774 502 3 -770 -1340 -1605 -1581 -1441 -1671 -1983 -2059 -1826 -899 -422 270 821 787 612 293 -114 -525 -241 -44 155 695 883 347 -279 -997 -1597 -1011 -566 -899 -1146 -737 -293 505 1102 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