File name: Pandora32s1_GreenbeltMD_20241116_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20241117T050652.5Z 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_20241116_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: 20241116 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 20241116T140109.7Z 9086.584140 329 1 24.63 2 70.41 137.02 100.54 313.90 0.00 1 0.00 1 0 17 1.628e-02 5.184e-03 2.634e-03 5.725e-04 3.366117e-01 2.852216e-04 4.020000e-03 -6.000000e+00 9.163905e-03 223.57 -2.00 3.47 -2.00 317.90 0.00e+00 6.732852e-04 4.881757e-05 1.036330e-04 -6.000000e+00 4.072831e-04 281.30 -2.00 20.00 -2.00 317.20 0.00e+00 2.949 0.000 302.00 328.00 3 9.9203e-01 7.5587e-04 3.3570e-02 -6.0000e+00 2.2570e-02 8.3562e-03 8.5574e-04 1.6967e-02 -6.0000e+00 2.4545e-02 -6.5772e-03 5.4903e-04 8.4366e-03 -6.0000e+00 1.4660e-02 -1.4128e-03 2.8511e-04 2.5036e-03 -6.0000e+00 6.3106e-03 7.2408e-03 -8.9091e-06 1.6164e-05 2.7156e-05 -6.0000e+00 4.3303e-04 8.2269e-05 -1.2165e-05 12 1 1 12 1 1 99.99 21.18 0.28 0.00008 0.00002 354 164 1 5 0 69.360 26.11 19.72 21.18 17.75 5.3 965.07 -2413 -3429 -3034 -5147 -7107 -7606 -6259 -3511 -3761 -2225 -5206 -4240 -3544 -827 633 -175 621 148 1238 997 1026 775 943 873 16 71 -222 -1258 -1255 -956 740 669 1291 -227 -2353 -2103 -2803 -1085 -421 -218 -654 -563 -297 -449 88 123 -144 -138 -488 72 582 994 919 1345 731 944 1101 157 368 359 840 1322 1656 1624 626 -33 -3 -312 575 770 75 33 -74 132 -11 -220 -479 -785 -727 -643 -1078 -1239 -1700 -1711 -864 -727 -238 149 125 414 332 711 -96 443 644 340 290 468 292 -231 -380 -727 -622 201 -446 -997 -564 -605 -180 330 297 243 278 323 182 289 363 270 14 -37 -480 -69 126 157 400 415 61 871 565 314 263 -146 -155 1 28 -114 -133 146 -53 -151 -40 -291 -459 -151 -250 -234 -398 -506 -503 -418 -256 -313 -198 -486 -398 -368 -99 80 -26 98 25 216 182 193 147 179 175 4 16 -52 -288 -270 -199 160 161 343 -61 -673 -570 -801 -325 -152 -87 -295 -271 -148 -229 45 63 -74 -70 -246 36 307 529 526 816 467 619 694 101 246 236 559 875 1201 1209 489 -25 -2 -223 425 606 67 29 -67 115 -10 -173 -362 -558 -530 -527 -955 -1164 -1747 -1756 -934 -802 -278 180 153 493 372 765 -101 443 671 373 340 583 379 -305 -501 -878 -729 234 -563 -1291 -762 -820 -257 482 465 380 427 490 267 395 485 374 21 -56 -753 -107 190 229 580 574 84 1178 778 475 407 -235 -246 2 47 -203 -235 262 -96 -271 -71 -499 -764 SS 20241116T143604.7Z 9086.608388 348 1 48.60 2 66.13 144.62 104.89 320.21 0.00 1 0.00 1 0 17 9.920e-03 5.359e-03 6.578e-04 2.277e-04 2.831456e-01 1.135523e-04 3.407037e-03 -6.000000e+00 5.583235e-03 223.57 -2.00 3.47 -2.00 317.06 0.00e+00 4.423488e-04 1.554114e-05 7.268165e-05 -6.000000e+00 2.481343e-04 281.30 -2.00 20.00 -2.00 316.37 0.00e+00 2.453 0.000 302.00 328.00 3 4.3539e-01 2.9585e-04 2.7987e-02 -6.0000e+00 1.3751e-02 2.5991e-03 3.3302e-04 1.4215e-02 -6.0000e+00 1.4954e-02 -3.9827e-03 1.9937e-04 7.0575e-03 -6.0000e+00 8.9318e-03 -1.6237e-03 9.8622e-05 2.0537e-03 -6.0000e+00 3.8449e-03 2.1985e-02 6.2832e-06 6.4346e-06 2.2941e-05 -6.0000e+00 2.6382e-04 -1.4788e-04 -1.3436e-05 10 0 0 10 0 0 99.95 21.24 0.30 -0.00015 -0.00010 1571 369 1 5 0 30.930 26.21 20.01 21.24 18.22 5.3 967.73 -961 -1330 -1130 -3057 -3909 -3962 -3300 -1082 -628 -1318 -2696 -2277 -1292 -558 372 289 -85 553 880 1007 1185 447 936 914 386 284 -316 -821 -674 -357 579 900 1437 -86 -2382 -1966 -1996 -940 -63 -243 -691 -523 -432 -539 -44 15 -380 -315 -406 -277 646 834 776 1071 728 916 1015 339 434 455 944 1349 1487 1482 608 -117 -79 -288 512 823 66 38 -89 26 20 -205 -431 -811 -670 -537 -1090 -1162 -1721 -1763 -940 -773 -252 -38 59 357 331 609 -7 524 683 336 340 474 248 -191 -322 -755 -549 181 -483 -1001 -588 -611 -174 342 273 247 229 310 173 356 332 255 102 -30 -394 -31 110 192 472 533 152 914 576 273 209 -126 -141 54 55 -81 -145 100 -31 -201 -87 -381 -501 -111 -176 -144 -422 -489 -455 -383 -137 -90 -188 -394 -332 -204 -102 78 68 -22 145 222 264 320 121 253 260 118 91 -104 -260 -199 -101 168 285 497 -32 -876 -681 -722 -360 -29 -123 -396 -298 -255 -324 -26 9 -227 -184 -233 -169 381 529 527 722 513 660 748 253 318 327 687 1039 1182 1274 544 -100 -62 -229 418 714 61 37 -88 25 18 -179 -358 -631 -528 -445 -979 -1165 -1785 -1924 -1028 -908 -299 -47 74 434 377 663 -7 518 699 361 408 603 328 -258 -412 -929 -657 216 -596 -1275 -781 -815 -242 488 415 373 353 449 241 479 437 346 142 -44 -589 -46 158 278 650 730 197 1215 778 384 312 -188 -215 85 87 -132 -245 173 -55 -346 -145 -632 -807 SS 20241116T144506.0Z 9086.614653 351 1 48.60 2 65.14 146.69 105.93 321.92 0.00 1 0.00 1 0 17 9.425e-03 5.418e-03 4.775e-04 1.869e-04 2.726648e-01 9.328760e-05 3.302152e-03 -6.000000e+00 5.302130e-03 223.57 -2.00 3.47 -2.00 316.78 0.00e+00 4.245830e-04 1.191082e-05 6.078381e-05 -6.000000e+00 2.357405e-04 281.30 -2.00 20.00 -2.00 316.11 0.00e+00 2.363 0.000 302.00 328.00 3 1.7883e-01 2.4214e-04 2.6966e-02 -6.0000e+00 1.3059e-02 -1.2844e-03 2.7174e-04 1.3704e-02 -6.0000e+00 1.4203e-02 -4.3513e-03 1.6096e-04 6.7999e-03 -6.0000e+00 8.4830e-03 -7.3371e-04 7.8509e-05 1.9695e-03 -6.0000e+00 3.6504e-03 3.1550e-02 -3.7703e-04 5.2687e-06 2.2977e-05 -6.0000e+00 2.5066e-04 7.9231e-04 -8.9052e-05 10 0 0 10 0 0 56.44 21.19 0.30 0.00079 -0.00204 1774 416 1 5 0 27.390 26.11 20.32 21.19 18.13 5.2 966.21 -498 -1199 -1114 -2762 -3897 -3603 -2603 -994 -137 -1093 -2576 -2042 -907 -437 331 232 26 536 978 999 1257 418 1100 988 564 366 -193 -804 -635 -283 668 859 1477 -144 -2350 -2009 -1868 -878 -38 -251 -674 -599 -498 -549 -73 -37 -361 -418 -516 -303 553 876 773 1125 714 877 981 315 487 462 924 1351 1488 1481 488 -159 -203 -324 501 848 81 67 -97 58 -8 -258 -438 -771 -680 -520 -1037 -1169 -1747 -1754 -929 -748 -287 -37 41 341 293 617 -8 531 667 313 308 454 270 -230 -290 -724 -530 177 -440 -976 -614 -606 -179 343 244 266 207 315 178 364 319 270 80 -1 -400 -54 150 211 521 574 162 921 581 286 195 -145 -147 74 19 -92 -129 100 -36 -199 -81 -392 -523 -69 -173 -169 -413 -577 -488 -355 -149 -21 -184 -442 -349 -167 -93 81 59 7 150 284 301 390 130 342 322 197 125 -67 -291 -213 -91 220 308 535 -56 -903 -727 -705 -377 -18 -134 -406 -360 -309 -347 -46 -23 -226 -256 -329 -192 340 579 546 790 524 658 753 244 370 346 700 1083 1233 1260 431 -141 -165 -266 399 759 77 65 -95 55 -8 -233 -355 -615 -550 -443 -958 -1148 -1781 -1881 -1049 -867 -338 -45 51 410 345 693 -8 539 700 346 363 569 353 -306 -366 -876 -621 207 -536 -1280 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