File name: Pandora75s1_EssexMD_20241010_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T173628.2Z 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_20241010_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: 20241010 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 20241010T150840.8Z 9049.631028 5 1 51.61 2 52.19 146.56 128.39 97.27 0.00 1 0.00 1 0 17 1.070e-02 7.679e-03 1.654e-04 9.974e-05 2.198655e-01 5.252675e-05 2.622741e-03 -6.000000e+00 6.370659e-03 226.61 -2.00 3.48 -2.00 315.53 0.00e+00 7.048745e-04 5.171361e-06 9.790268e-05 -6.000000e+00 2.876487e-04 285.92 -2.00 20.00 -2.00 314.83 0.00e+00 1.627 0.000 302.00 328.00 3 3.5764e-02 1.3490e-04 1.9640e-02 -6.0000e+00 1.5746e-02 8.8944e-03 1.5059e-04 1.1022e-02 -6.0000e+00 1.7093e-02 -8.3790e-04 8.6030e-05 5.4041e-03 -6.0000e+00 1.0222e-02 -5.6480e-03 3.7904e-05 1.5325e-03 -6.0000e+00 4.2735e-03 7.8534e-02 -1.3348e-04 3.1351e-06 2.1480e-05 -6.0000e+00 3.3099e-04 6.1577e-03 -5.2429e-06 11 8 0 10 0 0 27.90 23.48 0.46 0.00616 0.00515 3592 585 1 5 0 14.360 26.21 20.00 23.48 23.98 5.6 983.58 202 -61 -1166 -2502 -3292 -2583 -1675 -583 -538 -2021 -2813 -2316 -1195 -405 419 274 405 910 1480 1476 1454 1385 1646 1527 1333 1079 78 -629 -237 190 538 1152 536 -1429 -2980 -2974 -2437 -1326 -129 -409 -651 -338 -232 -105 56 198 -118 -336 -341 123 545 928 1097 1111 836 912 727 293 254 577 1162 1713 1965 1423 563 -240 -581 -254 551 1071 617 618 557 345 -105 -835 -1432 -1689 -1679 -1556 -1773 -1937 -2008 -1745 -886 -512 163 517 446 399 348 -46 -436 -148 -95 120 480 574 136 -307 -921 -1297 -773 -433 -819 -927 -515 -268 442 803 798 568 361 57 -89 -6 185 438 477 383 397 556 597 647 649 316 261 408 339 149 -155 -395 -225 -7 63 74 336 233 43 -32 -455 -866 -970 52 -16 -316 -711 -858 -633 -418 -157 -159 -589 -834 -698 -387 -147 157 113 174 376 629 646 647 618 743 718 656 514 37 -308 -109 84 247 558 260 -722 -1477 -1549 -1269 -737 -79 -275 -481 -248 -175 -80 43 149 -88 -243 -254 91 397 714 889 898 698 775 626 253 216 491 1013 1508 1773 1353 536 -216 -511 -217 491 1003 605 634 573 344 -102 -777 -1279 -1441 -1480 -1442 -1753 -2015 -2144 -1888 -1014 -600 199 627 541 484 407 -51 -470 -154 -104 136 557 701 174 -389 -1112 -1521 -901 -518 -1014 -1173 -656 -357 594 1132 1132 810 512 78 -117 -7 229 563 632 519 552 765 829 860 848 394 326 512 432 195 -213 -557 -313 -10 93 110 516 365 68 -49 -680 -1304 -1447 SS 20241010T151357.5Z 9049.634693 8 1 51.62 2 51.64 148.07 127.43 97.97 0.00 1 0.00 1 0 17 1.067e-02 7.659e-03 1.623e-04 9.840e-05 2.175111e-01 5.186856e-05 2.596154e-03 -6.000000e+00 6.357880e-03 226.61 -2.00 3.48 -2.00 315.50 0.00e+00 6.820682e-04 5.070528e-06 9.635896e-05 -6.000000e+00 2.870623e-04 285.92 -2.00 20.00 -2.00 314.81 0.00e+00 1.608 0.000 302.00 328.00 3 3.2516e-02 1.3321e-04 1.9412e-02 -6.0000e+00 1.5714e-02 8.2906e-03 1.4869e-04 1.0903e-02 -6.0000e+00 1.7059e-02 -4.1646e-04 8.4934e-05 5.3473e-03 -6.0000e+00 1.0202e-02 -5.6767e-03 3.7385e-05 1.5141e-03 -6.0000e+00 4.2651e-03 8.0667e-02 -1.4084e-04 3.0927e-06 2.1278e-05 -6.0000e+00 3.3031e-04 5.7826e-03 -8.2385e-06 11 8 0 10 0 0 18.19 23.56 0.46 0.00578 0.00472 3664 596 1 5 0 14.080 26.32 20.00 23.56 24.10 5.5 983.50 271 -57 -1196 -2559 -3261 -2600 -1605 -606 -544 -1968 -2785 -2327 -1232 -393 433 280 339 906 1436 1535 1420 1350 1686 1464 1348 1094 97 -619 -245 173 475 1148 525 -1434 -2982 -2982 -2477 -1318 -145 -417 -651 -354 -237 -119 28 182 -130 -375 -389 132 527 913 1105 1090 819 908 755 302 237 593 1143 1688 1955 1448 570 -257 -574 -238 558 1061 615 628 553 335 -102 -827 -1407 -1701 -1697 -1528 -1758 -1920 -2012 -1742 -880 -499 156 523 443 384 352 -49 -413 -167 -84 109 488 563 122 -289 -901 -1294 -788 -420 -801 -921 -503 -270 440 810 783 573 371 56 -79 -12 173 429 462 370 404 543 585 641 670 306 262 411 348 138 -156 -388 -238 13 50 77 331 227 48 -24 -455 -867 -972 72 -15 -332 -686 -868 -651 -408 -167 -152 -585 -842 -715 -407 -135 165 117 139 380 620 681 642 611 772 699 673 528 47 -308 -114 78 221 563 257 -733 -1493 -1472 -1303 -740 -89 -283 -461 -263 -181 -91 22 139 -97 -274 -292 99 387 707 858 886 688 777 654 262 204 507 1002 1495 1773 1383 545 -232 -507 -204 499 997 605 646 570 335 -99 -772 -1260 -1456 -1500 -1419 -1741 -2000 -2153 -1886 -1009 -585 184 635 539 466 412 -55 -446 -174 -91 124 566 687 157 -366 -1087 -1517 -919 -503 -990 -1164 -641 -359 591 1141 1110 816 525 77 -104 -15 214 551 611 500 559 747 811 851 874 381 326 516 443 187 -213 -545 -330 19 74 115 506 353 75 -37 -678 -1301 -1445 SS 20241010T151945.6Z 9049.638722 11 1 51.63 2 51.06 149.76 126.36 98.73 0.00 1 0.00 1 0 17 1.063e-02 7.689e-03 1.577e-04 9.720e-05 2.150502e-01 5.119919e-05 2.566170e-03 -6.000000e+00 6.333602e-03 226.61 -2.00 3.48 -2.00 315.44 0.00e+00 6.666312e-04 4.960653e-06 9.375297e-05 -6.000000e+00 2.859562e-04 285.92 -2.00 20.00 -2.00 314.76 0.00e+00 1.588 0.000 302.00 328.00 3 3.3837e-02 1.3133e-04 1.9174e-02 -6.0000e+00 1.5654e-02 8.4776e-03 1.4654e-04 1.0774e-02 -6.0000e+00 1.6993e-02 -5.0841e-04 8.3727e-05 5.2818e-03 -6.0000e+00 1.0162e-02 -5.6986e-03 3.6792e-05 1.4930e-03 -6.0000e+00 4.2490e-03 8.2518e-02 -1.3444e-04 3.0536e-06 2.1281e-05 -6.0000e+00 3.2903e-04 5.4944e-03 -7.4877e-06 11 8 0 10 0 0 15.81 23.61 0.46 0.00549 0.00448 3685 600 1 5 0 14.000 26.32 20.00 23.61 24.13 5.5 983.77 288 -65 -1206 -2523 -3252 -2589 -1601 -516 -445 -1931 -2690 -2245 -1253 -403 471 268 347 900 1467 1547 1422 1354 1654 1508 1386 1119 157 -577 -247 180 512 1166 510 -1439 -3021 -2982 -2419 -1360 -156 -432 -675 -374 -229 -93 44 196 -118 -367 -383 131 519 914 1077 1097 815 904 760 298 256 622 1151 1693 1938 1423 549 -268 -580 -252 560 1081 599 649 551 338 -75 -815 -1407 -1672 -1694 -1537 -1745 -1909 -2015 -1730 -878 -526 162 519 428 387 350 -44 -409 -165 -70 125 481 566 133 -295 -920 -1293 -786 -418 -812 -916 -487 -264 422 805 781 547 383 73 -93 -15 180 439 477 370 395 543 592 652 672 313 253 394 346 152 -163 -403 -228 16 63 91 327 222 41 -39 -452 -871 -977 78 -18 -343 -695 -889 -665 -418 -146 -127 -589 -833 -706 -424 -141 183 114 145 386 646 700 655 625 772 733 660 550 78 -292 -117 83 241 580 254 -746 -1535 -1492 -1289 -774 -98 -296 -484 -281 -177 -72 34 151 -90 -271 -277 94 385 715 844 900 691 780 634 249 221 537 971 1512 1772 1370 529 -244 -516 -217 503 1021 592 671 571 340 -74 -765 -1268 -1438 -1504 -1434 -1735 -1996 -2163 -1880 -1010 -620 192 633 522 472 412 -49 -425 -173 -74 136 559 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