File name: Pandora32s1_GreenbeltMD_20241204_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20241205T054447.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20241204_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20241204 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: Based on session 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- 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 20241204T124613.0Z 9104.532095 51 1 49.61 2 84.93 124.25 118.63 102.79 0.00 1 0.00 1 0 25 8.269e-01 5.922e-02 4.276e-01 3.379e-02 1.117682e+00 1.959414e-02 1.269844e-02 -6.000000e+00 4.740872e-01 223.28 -2.00 3.47 -2.00 322.07 0.00e+00 -2.697585e-02 6.129789e-03 7.055822e-03 -6.000000e+00 2.148994e-02 279.39 -2.00 20.00 -2.00 321.61 0.00e+00 9.729 0.016 302.00 328.00 3 4.9377e-01 6.3905e-02 1.2925e-01 -6.0000e+00 1.1649e+00 2.2250e+00 7.4778e-02 1.1419e-01 -6.0000e+00 1.2681e+00 -2.6990e+00 4.1143e-02 2.8417e-02 -6.0000e+00 7.5917e-01 1.0081e+00 2.6330e-02 2.8260e-02 -6.0000e+00 3.3306e-01 6.7323e-06 -6.3969e-04 8.1934e-04 3.1026e-04 -6.0000e+00 2.2727e-02 2.9608e-03 -6.8468e-05 12 8 8 10 0 0 -40.93 19.34 3.11 0.00296 -0.00185 19 4 1 5 0 2610.930 24.65 18.42 19.34 3.13 5.2 880.95 900000 64746 17004 48916 6974 -47097 64053 -36373 38082 46530 26269 -35669 42576 11296 116066 56968 -16818 -27655 57056 80326 28363 -15601 8783 -10774 171801 191657 23597 900000 51689 -42444 204725 -37695 900000 73060 -15882 -73930 105433 84796 -17251 900000 117685 100014 900000 900000 900000 900000 152271 900000 330195 78905 4319 55462 74553 900000 41257 119647 138581 35003 305429 27477 170941 -23685 -35531 35232 11425 271039 380625 67998 96725 215491 19162 34382 137530 82049 -2995 -36821 77868 24007 -20698 -22552 -8246 60214 13438 892 57016 11875 -43170 9797 25729 943 -7213 67638 22886 -14064 14114 3123 22695 7121 27999 -8295 5573 -16413 -16097 -6071 -6478 2837 -4093 -6151 -1252 -328 1429 2189 53 -1689 3160 647 2661 1533 4321 -2683 1673 -741 7093 -1142 3320 991 -1414 -6484 -2393 3066 2623 1035 -1609 -1316 1016 -2453 350 -3287 1799 1747 -278 2771 -789 900000 7274 2703 4972 813 -7744 3447 -5981 3302 3895 2670 -6611 3691 1385 5205 4769 -2916 -5126 4264 4322 2289 -1726 735 -1224 5650 6302 2116 900000 2318 -4314 6732 -4282 900000 3058 -1472 -10830 3467 2788 -1908 900000 4574 4784 900000 900000 900000 900000 5007 900000 10858 3373 387 3648 4413 900000 3934 5508 5469 3798 10044 2530 5621 -3271 -6076 3360 1503 8913 12517 5367 6361 7086 3466 5540 7688 7285 -542 -7991 4865 2605 -3948 -5265 -2007 8712 3535 287 11062 3788 -24701 3351 7361 329 -2538 10676 5644 -5411 4781 1417 10075 4332 15652 -6956 3885 -12684 -10852 -3513 -3962 1689 -2759 -4591 -1008 -311 1574 2722 72 -2393 4208 862 3473 2107 6081 -4173 2421 -1029 8584 -1464 3996 1192 -1702 -8657 -3620 5303 4814 2158 -3756 -3347 2745 -7305 1038 -10160 5240 4853 -721 6297 -1733 SS 20241204T143725.5Z 9104.609323 106 1 48.98 2 69.58 145.43 99.12 117.32 0.00 1 0.00 1 0 17 3.549e-02 5.910e-03 1.517e-02 1.855e-03 4.068679e-01 9.225994e-04 4.795337e-03 -6.000000e+00 1.995781e-02 223.28 -2.00 3.47 -2.00 318.66 0.00e+00 1.236871e-03 1.994730e-04 2.070707e-04 -6.000000e+00 8.805966e-04 279.38 -2.00 20.00 -2.00 318.03 0.00e+00 2.837 0.000 302.00 328.00 3 3.8772e+00 2.4943e-03 3.4631e-02 -6.0000e+00 4.9157e-02 3.7189e-02 2.8659e-03 2.0410e-02 -6.0000e+00 5.3478e-02 -4.8240e-03 2.0536e-03 1.0305e-02 -6.0000e+00 3.1913e-02 -4.2620e-03 1.0948e-03 3.2561e-03 -6.0000e+00 1.3727e-02 3.9312e-04 1.1495e-04 5.1888e-05 3.3485e-05 -6.0000e+00 9.4362e-04 -2.2122e-03 1.3720e-05 10 0 0 10 0 0 99.94 19.86 0.11 -0.00221 -0.00135 44 10 1 5 0 1113.060 25.07 18.90 19.86 5.52 5.2 895.42 3676 -13234 -14151 -10848 -11584 -15962 2610 -13694 -2989 -10591 -11802 -10770 -2640 -3179 2546 -3396 -6281 -975 329 301 -218 -3527 2443 -2823 746 -45 -2536 -2454 -3724 -3389 119 481 4403 1674 -2883 -4668 -1130 -529 -334 208 -335 -111 -819 61 808 621 257 392 -416 -1224 938 947 990 1510 609 1452 1291 -45 54 -32 1072 1143 1794 1289 932 124 213 -283 413 1678 517 31 275 36 -347 -890 -367 -594 -1311 -860 -1146 -1282 -2183 -1859 -944 -585 190 -13 187 646 707 889 164 356 358 345 127 700 676 -261 -271 -1047 -616 -259 -876 -1134 -657 -664 -321 233 447 360 228 409 167 155 286 94 181 -31 -474 81 377 54 451 437 32 878 690 230 236 -79 -257 29 -9 -124 -316 28 89 -132 -30 -245 -346 108 -529 -613 -453 -449 -600 85 -578 -130 -535 -618 -576 -148 -214 193 -313 -652 -102 36 35 -26 -438 291 -372 102 -7 -387 -365 -534 -480 17 79 780 326 -574 -904 -221 -117 -88 64 -115 -41 -313 24 314 243 101 154 -165 -496 393 428 478 767 325 790 721 -25 30 -18 592 664 1125 874 658 86 140 -183 276 1223 414 26 233 30 -274 -655 -249 -388 -884 -637 -946 -1156 -2111 -1867 -982 -637 215 -15 219 740 775 921 161 341 356 371 149 884 906 -357 -358 -1306 -725 -303 -1077 -1463 -871 -910 -457 347 699 581 367 638 249 222 403 135 271 -48 -754 128 579 81 660 621 44 1200 988 352 378 -130 -433 51 -16 -229 -597 53 171 -251 -55 -439 -608 SS 20241204T144645.0Z 9104.615799 112 1 48.46 2 68.58 147.47 97.57 118.61 0.00 1 0.00 1 0 17 4.332e-02 6.183e-03 1.625e-02 2.199e-03 3.869707e-01 1.093756e-03 4.572181e-03 -6.000000e+00 2.435856e-02 223.28 -2.00 3.47 -2.00 318.60 0.00e+00 9.704209e-04 2.304632e-04 2.212985e-04 -6.000000e+00 1.074833e-03 279.38 -2.00 20.00 -2.00 317.96 0.00e+00 2.713 0.000 302.00 328.00 3 4.2894e+00 2.9509e-03 3.3055e-02 -6.0000e+00 5.9996e-02 3.2151e-02 3.3840e-03 1.9399e-02 -6.0000e+00 6.5271e-02 -9.6207e-03 2.3810e-03 9.7841e-03 -6.0000e+00 3.8950e-02 -1.0848e-03 1.2641e-03 3.0076e-03 -6.0000e+00 1.6753e-02 3.0269e-04 1.3576e-04 6.2094e-05 3.1441e-05 -6.0000e+00 1.1518e-03 -2.1711e-03 3.7916e-06 10 0 0 10 0 0 99.97 19.98 0.29 -0.00217 -0.00115 39 9 1 5 0 1242.260 25.17 18.93 19.98 5.89 5.2 897.58 15371 -2052 -17692 -17070 -3461 -24950 -1853 -17680 -2148 -8882 -11902 -14712 -7438 -4521 2711 -2348 -2268 -4189 2155 2777 3351 -941 2216 -2937 -512 -299 -3397 -469 -209 -2792 3154 -2916 6846 -1374 -2074 -2635 -2104 -435 -2159 -113 -618 -89 286 158 488 130 72 -287 -194 -369 387 1522 679 2397 670 2117 1141 -733 1052 -210 2197 838 1577 1238 587 -41 407 478 -156 1193 -17 -252 402 72 -129 -457 -686 -1092 -1869 -903 -1587 -724 -1541 -1910 -661 -1135 596 -193 218 578 239 692 -307 -95 669 850 724 288 802 -520 -113 -972 -915 102 -861 -1118 -691 -422 -76 335 368 164 322 253 435 36 73 271 -65 -14 -295 46 359 266 527 318 118 768 444 238 71 75 -363 89 51 -170 -93 -263 103 -242 -34 134 -506 466 -85 -900 -855 -141 -1150 -71 -871 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