File name: Pandora32s1_GreenbeltMD_20231118_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231119T053830.2Z 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 v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20231118_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: 20231118 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 20231118T150729.2Z 8722.630199 142 1 32.57 2 63.23 152.11 112.28 105.06 0.00 1 0.00 1 0 17 9.632e-03 5.509e-03 1.098e-03 3.995e-04 2.798851e-01 1.992314e-04 3.368344e-03 -6.000000e+00 5.421754e-03 223.55 -2.00 3.47 -2.00 316.87 0.00e+00 4.351378e-04 2.610059e-05 8.339491e-05 -6.000000e+00 2.408073e-04 281.19 -2.00 20.00 -2.00 316.19 0.00e+00 2.207 0.000 302.00 328.00 3 1.3834e+00 5.1806e-04 2.5855e-02 -6.0000e+00 1.3353e-02 1.0973e-02 5.8288e-04 1.3994e-02 -6.0000e+00 1.4521e-02 -1.1897e-04 3.4678e-04 6.9638e-03 -6.0000e+00 8.6731e-03 -3.4270e-03 1.7039e-04 2.0224e-03 -6.0000e+00 3.7337e-03 1.0703e-02 1.3133e-04 1.1216e-05 2.2876e-05 -6.0000e+00 2.5615e-04 5.4831e-04 5.9246e-05 12 1 1 12 1 1 99.99 21.43 0.27 0.00055 0.00154 486 171 1 5 0 66.860 26.00 20.00 21.43 15.94 3.7 945.03 -332 -949 -895 -3018 -3470 -3762 -2101 -1377 -339 -607 -3064 -2024 -1290 -259 397 103 262 297 1098 812 1377 648 927 1061 220 581 -194 -605 -645 -383 664 641 1381 -350 -2491 -2337 -2443 -1099 -356 -297 -644 -473 -330 -602 11 -19 -390 -236 -461 -356 357 875 703 1067 651 893 1049 196 431 323 895 1410 1537 1642 649 -3 -153 -440 414 752 197 162 77 204 37 -203 -626 -966 -999 -713 -1153 -1262 -1753 -1703 -898 -723 -106 158 280 503 334 487 -174 213 447 196 321 513 404 -210 -332 -821 -721 13 -677 -953 -598 -504 -84 474 441 452 384 334 67 185 149 173 28 -15 -312 33 190 177 448 419 43 825 366 246 107 -149 -146 88 112 -95 -19 206 59 -176 -73 -414 -619 -39 -128 -127 -425 -440 -439 -267 -178 -49 -95 -497 -325 -225 -52 91 25 67 79 303 233 406 192 275 329 73 203 -64 -208 -207 -118 209 220 480 -131 -921 -815 -889 -453 -164 -162 -372 -290 -209 -389 7 -12 -249 -148 -283 -217 225 556 479 764 487 645 774 147 316 247 690 1085 1290 1410 580 -3 -127 -348 336 649 181 158 76 195 36 -176 -515 -742 -778 -617 -1078 -1250 -1800 -1837 -1019 -841 -124 193 345 604 393 550 -180 218 472 217 379 642 526 -278 -436 -993 -845 15 -820 -1241 -778 -686 -114 688 656 693 577 491 95 243 199 228 39 -22 -472 50 277 249 624 556 57 1058 498 349 155 -223 -222 133 180 -156 -31 343 100 -293 -122 -662 -998 SS 20231118T151226.4Z 8722.633639 145 1 12.44 2 62.78 153.32 111.39 105.70 0.00 1 0.00 1 0 17 9.833e-03 5.525e-03 1.663e-03 6.038e-04 2.763075e-01 3.011028e-04 3.323814e-03 -6.000000e+00 5.534719e-03 223.55 -2.00 3.47 -2.00 316.89 0.00e+00 4.131088e-04 3.947529e-05 1.071154e-04 -6.000000e+00 2.458343e-04 281.19 -2.00 20.00 -2.00 316.20 0.00e+00 2.175 0.000 302.00 328.00 3 1.2591e+00 7.8337e-04 2.5484e-02 -6.0000e+00 1.3632e-02 1.2076e-02 8.8084e-04 1.3799e-02 -6.0000e+00 1.4824e-02 -8.9468e-04 5.2476e-04 6.8756e-03 -6.0000e+00 8.8539e-03 -3.3800e-03 2.5791e-04 1.9946e-03 -6.0000e+00 3.8114e-03 1.2574e-02 8.3325e-05 1.7004e-05 2.2515e-05 -6.0000e+00 2.6150e-04 6.3939e-04 5.3580e-05 12 1 1 12 1 1 99.99 21.42 0.26 0.00064 0.00127 253 233 1 5 0 48.980 26.00 19.99 21.42 16.31 3.8 949.65 -2028 -485 -1404 -2106 -3674 -4146 -2212 -1718 660 -1262 -2265 -1445 -1433 -291 183 402 106 736 1114 508 1335 353 1260 979 408 668 -551 -743 -902 -425 424 809 1325 -585 -2457 -2718 -2272 -1346 -421 -194 -879 -413 -407 -483 199 -49 -47 -326 -511 -469 492 841 820 1153 622 852 1007 306 623 305 974 1272 1678 1654 601 83 -222 -333 357 778 146 170 50 -36 -77 -307 -564 -1045 -1077 -781 -1191 -1279 -1677 -1685 -910 -655 -38 28 191 480 324 418 -286 281 400 238 331 503 369 -147 -329 -848 -666 -5 -654 -983 -616 -494 -87 502 519 446 417 386 108 185 81 109 11 102 -232 44 225 195 511 383 -5 770 400 115 117 -191 -223 144 -40 -100 -10 191 34 -128 -107 -362 -546 -245 -66 -202 -297 -472 -490 -260 -224 95 -201 -367 -232 -251 -58 39 96 27 195 307 146 393 105 371 303 135 232 -183 -255 -289 -130 133 276 456 -218 -899 -942 -817 -550 -192 -105 -502 -250 -254 -307 126 -31 -29 -201 -309 -282 304 558 547 811 457 640 773 238 474 229 737 962 1379 1470 526 73 -180 -257 283 692 138 162 48 -35 -72 -275 -453 -831 -867 -659 -1086 -1235 -1759 -1770 -1006 -776 -46 34 239 587 372 460 -302 279 411 256 397 639 486 -197 -420 -1041 -794 -6 -805 -1243 -812 -681 -121 736 778 689 631 574 147 245 105 145 15 149 -339 64 331 277 719 514 -7 1001 526 164 170 -289 -329 219 -64 -164 -17 318 58 -212 -178 -581 -884 SS 20231118T151718.1Z 8722.637015 148 1 48.57 2 62.37 154.53 110.52 106.33 0.00 1 0.00 1 0 17 1.326e-02 6.413e-03 7.965e-03 2.373e-03 2.712735e-01 1.178334e-03 3.251673e-03 -6.000000e+00 7.465453e-03 223.55 -2.00 3.47 -2.00 317.39 0.00e+00 3.205952e-04 1.757479e-04 1.742220e-04 -6.000000e+00 3.315430e-04 281.19 -2.00 20.00 -2.00 316.70 0.00e+00 2.145 0.000 302.00 328.00 3 5.0710e+00 3.0896e-03 2.5111e-02 -6.0000e+00 1.8387e-02 3.3839e-02 3.4869e-03 1.3575e-02 -6.0000e+00 1.9994e-02 8.3959e-03 2.1320e-03 6.7606e-03 -6.0000e+00 1.1942e-02 -7.3054e-03 1.0736e-03 1.9524e-03 -6.0000e+00 5.1414e-03 2.8431e-04 1.6952e-04 6.7503e-05 2.1571e-05 -6.0000e+00 3.5266e-04 3.0345e-04 7.1903e-05 11 9 0 11 8 0 100.00 21.43 0.30 0.00030 0.00158 40 9 1 5 0 1214.040 26.00 20.00 21.43 16.89 3.7 952.35 -932 161 -4687 -1505 -1985 -5009 -2014 1121 -3865 2486 -4214 -2274 930 -2607 -263 415 -611 823 1681 2425 1359 53 2142 1587 -1411 1334 -82 -1712 -1440 -1546 2331 -139 3913 -1058 -3155 -1775 -3093 -1186 -1272 -13 -298 -712 -654 -273 -392 -34 -324 203 -389 -935 -275 1051 382 1342 908 640 1607 238 493 -34 954 882 1790 2086 182 36 -193 -597 363 1354 195 -76 377 88 285 -294 -1084 -591 -1469 -930 -1590 -1490 -1819 -1676 -563 -631 622 109 109 793 706 209 -229 54 143 195 502 673 759 -203 -363 -1141 -968 -136 -982 -1415 -324 -397 -5 668 450 592 340 125 373 58 -31 -21 -223 134 -9 95 390 202 607 252 -281 732 121 293 -272 -408 -281 111 451 -190 178 -238 186 163 -149 -182 -644 -89 17 -551 -168 -202 -482 -192 115 -468 305 -555 -294 127 -419 -47 83 -130 179 379 561 328 13 514 400 -386 373 -24 -482 -380 -394 591 -39 1146 -341 -1005 -531 -972 -415 -523 -6 -155 -391 -369 -156 -225 -20 -184 113 -214 -514 -156 625 241 877 616 443 1126 169 345 -24 666 646 1395 1721 156 30 -149 -445 276 1117 176 -72 360 83 255 -246 -840 -431 -1089 -746 -1413 -1435 -1862 -1776 -619 -729 745 135 137 970 826 231 -236 53 145 211 587 846 1011 -275 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