File name: Pandora75s1_EssexMD_20240722_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T073802.7Z 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_20240722_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: 20240722 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 20240722T215513.0Z 8969.913345 585 1 13.00 2 62.79 274.40 133.38 78.15 0.00 1 0.00 1 0 17 1.529e-02 7.755e-03 1.370e-03 5.146e-04 2.997061e-01 2.741273e-04 3.492635e-03 -6.000000e+00 9.311401e-03 232.49 -2.00 3.48 -2.00 316.87 0.00e+00 1.004039e-03 3.629669e-05 2.784369e-04 -6.000000e+00 4.195341e-04 290.66 -2.00 20.00 -2.00 316.00 0.00e+00 2.175 0.000 302.00 328.00 3 1.2059e+00 7.2485e-04 2.6786e-02 -6.0000e+00 2.3307e-02 7.4674e-03 8.1098e-04 1.5402e-02 -6.0000e+00 2.5166e-02 -2.3181e-03 4.7032e-04 7.4074e-03 -6.0000e+00 1.5021e-02 -4.4892e-03 2.2011e-04 2.0303e-03 -6.0000e+00 6.2399e-03 1.2376e-02 3.9474e-05 1.6211e-05 2.6088e-05 -6.0000e+00 4.7403e-04 3.7249e-03 2.8246e-05 12 9 1 12 1 1 96.00 23.66 0.46 0.00372 0.00402 173 112 1 5 0 74.710 26.32 19.99 23.66 33.16 4.5 1045.59 -996 -1812 -1823 -3900 -5281 -5133 -5154 -2723 -3027 -4125 -4986 -4193 -2915 -859 -126 268 523 1021 1620 1559 1679 1632 1794 1498 1393 1214 -349 -1024 -610 -580 -55 885 281 -1549 -3459 -3452 -2893 -1417 -99 -492 -543 4 -58 295 446 474 168 -184 -376 243 552 994 1109 1312 1075 1024 750 361 239 656 1170 1881 2206 1628 874 -103 -437 -287 735 1123 768 776 530 276 -128 -1063 -1604 -1827 -1902 -1656 -1829 -1878 -1979 -1679 -850 -417 194 591 540 454 397 -102 -576 -277 -208 -16 392 586 119 -327 -1073 -1325 -888 -505 -820 -964 -545 -282 476 919 846 571 395 76 -137 -51 52 479 544 381 375 621 649 652 594 215 146 295 249 -4 -186 -477 -251 -18 66 89 391 341 111 7 -442 -753 -947 -117 -239 -250 -529 -735 -681 -709 -366 -451 -661 -825 -717 -548 -182 -28 66 138 282 465 465 511 501 562 494 447 404 -119 -337 -206 -194 -18 309 106 -619 -1371 -1355 -1216 -629 -48 -261 -319 3 -35 180 274 290 102 -118 -238 155 348 669 749 933 795 777 580 280 183 501 917 1484 1785 1404 763 -86 -364 -236 601 1016 724 731 502 264 -114 -916 -1341 -1475 -1608 -1479 -1749 -1894 -2053 -1839 -946 -473 230 720 658 534 453 -113 -620 -291 -220 -18 466 736 152 -431 -1347 -1615 -1075 -599 -1040 -1247 -711 -386 660 1302 1260 862 579 108 -189 -67 68 650 757 560 542 916 932 931 808 291 191 391 338 -6 -275 -707 -382 -27 106 146 657 567 185 11 -717 -1225 -1528 SS 20240722T220024.7Z 8969.916953 588 1 51.62 2 63.79 275.18 132.43 79.10 0.00 1 0.00 1 0 17 1.634e-02 7.636e-03 1.009e-03 3.351e-04 3.099460e-01 1.782935e-04 3.598605e-03 -6.000000e+00 9.948832e-03 232.49 -2.00 3.48 -2.00 317.15 0.00e+00 9.254458e-04 2.532946e-05 3.296250e-04 -6.000000e+00 4.482198e-04 290.66 -2.00 20.00 -2.00 316.27 0.00e+00 2.251 0.000 302.00 328.00 3 1.5984e+00 4.7338e-04 2.7716e-02 -6.0000e+00 2.4903e-02 1.1545e-02 5.3077e-04 1.5936e-02 -6.0000e+00 2.6887e-02 -3.5616e-03 3.1083e-04 7.6588e-03 -6.0000e+00 1.6049e-02 -4.3557e-03 1.4798e-04 2.0845e-03 -6.0000e+00 6.6679e-03 7.6356e-03 2.2501e-04 1.0549e-05 2.6180e-05 -6.0000e+00 5.0639e-04 3.3447e-03 5.6832e-05 11 8 0 10 0 0 99.97 23.66 0.43 0.00334 0.00504 603 98 1 5 0 85.600 26.32 20.00 23.66 33.57 4.5 1049.03 -2784 -1953 -2718 -4048 -5755 -6014 -4593 -3797 -3348 -4584 -5044 -4849 -3037 -2023 -236 -92 506 1056 1324 1578 1754 1381 1533 1543 999 994 -519 -1112 -1017 -422 -196 558 315 -1745 -3534 -3429 -2795 -1579 -201 -370 -423 -7 104 196 404 629 238 -113 -259 267 642 991 1194 1328 1037 1085 795 392 247 592 1116 1920 2244 1777 750 -108 -534 -162 659 1168 697 772 618 327 -211 -984 -1562 -1959 -1941 -1684 -1810 -1921 -2008 -1729 -822 -389 229 635 599 496 366 -104 -570 -347 -249 12 397 509 137 -398 -933 -1409 -893 -540 -836 -933 -464 -189 431 859 797 565 313 53 -127 16 199 453 489 382 410 568 656 643 586 166 109 298 227 26 -255 -420 -257 16 89 133 374 355 66 27 -439 -783 -952 -294 -228 -333 -487 -649 -651 -508 -460 -447 -659 -747 -749 -467 -356 -47 -21 120 262 344 425 483 385 436 423 290 300 -160 -331 -288 -118 -58 178 109 -639 -1283 -1233 -1076 -640 -95 -191 -241 -4 60 116 239 372 139 -66 -149 156 393 648 779 914 744 798 596 295 184 439 849 1460 1843 1470 630 -92 -432 -129 552 1022 633 734 589 301 -192 -819 -1270 -1543 -1602 -1462 -1674 -1966 -2102 -1911 -916 -461 270 771 727 581 419 -115 -593 -354 -268 14 474 639 181 -524 -1169 -1725 -1089 -641 -1064 -1203 -627 -256 616 1250 1172 843 472 76 -174 22 271 615 706 558 610 833 935 916 795 225 144 398 308 38 -376 -645 -390 25 142 224 623 601 112 46 -729 -1263 -1521 SS 20240722T220441.6Z 8969.919927 591 1 20.50 2 64.62 275.81 131.65 79.86 0.00 1 0.00 1 0 17 1.712e-02 7.679e-03 1.943e-03 6.347e-04 3.191873e-01 3.375869e-04 3.705942e-03 -6.000000e+00 1.042317e-02 232.49 -2.00 3.48 -2.00 317.17 0.00e+00 9.868558e-04 4.829893e-05 3.223896e-04 -6.000000e+00 4.696060e-04 290.66 -2.00 20.00 -2.00 316.29 0.00e+00 2.318 0.000 302.00 328.00 3 1.8865e+00 8.9692e-04 2.8545e-02 -6.0000e+00 2.6090e-02 1.2848e-02 1.0061e-03 1.6425e-02 -6.0000e+00 2.8170e-02 -4.5453e-03 5.9139e-04 7.9136e-03 -6.0000e+00 1.6814e-02 -3.6015e-03 2.8215e-04 2.1726e-03 -6.0000e+00 6.9854e-03 5.2849e-03 9.6626e-05 1.9901e-05 2.6677e-05 -6.0000e+00 5.3058e-04 3.2797e-03 3.4493e-05 12 9 1 12 1 1 99.76 23.66 0.42 0.00328 0.00401 132 55 1 5 0 154.120 26.41 19.99 23.66 33.92 4.5 1051.19 -3278 -1468 -2582 -3686 -5925 -6092 -5338 -4667 -4392 -4333 -5815 -5075 -3169 -1611 -490 -158 397 756 1436 1571 1949 1732 1209 1332 1232 1104 -654 -1045 -1103 -271 526 581 567 -1595 -3426 -3875 -2827 -1508 -252 -180 -372 -15 225 300 465 728 110 -169 -160 325 650 904 1422 1366 1148 1186 717 247 258 465 1230 1922 2141 1708 661 -100 -454 -204 753 1176 682 778 458 282 -199 -1016 -1512 -1927 -2017 -1677 -1752 -1944 -2051 -1801 -780 -377 372 562 584 479 479 -63 -367 -277 -262 -121 410 496 111 -405 -973 -1411 -838 -451 -917 -922 -686 -354 380 893 857 435 339 -7 -61 68 182 509 541 415 343 586 589 651 609 253 187 417 343 50 -205 -430 -260 -34 60 97 326 276 80 20 -405 -824 -922 -338 -166 -309 -432 -656 -646 -584 -559 -581 -611 -854 -775 -483 -281 -97 -35 94 189 343 389 493 442 318 368 359 335 -203 -313 -316 -77 157 189 200 -550 -1270 -1431 -1028 -626 -114 -95 -203 -9 134 182 282 442 67 -102 -95 196 387 576 961 919 805 853 528 182 188 338 916 1437 1733 1398 551 -84 -364 -161 625 1024 620 739 437 259 -180 -889 -1220 -1509 -1659 -1456 -1626 -1905 -2165 -1918 -878 -431 445 662 718 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