File name: Pandora32s1_GreenbeltMD_20231029_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231102T180456.1Z 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_20231029_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: 20231029 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 20231029T135833.0Z 8702.582327 327 1 11.82 2 66.12 133.35 105.85 309.19 0.00 1 0.00 1 0 17 1.388e-02 6.075e-03 9.778e-03 2.967e-03 2.895872e-01 1.484396e-03 3.442514e-03 -6.000000e+00 7.855062e-03 225.02 -2.00 3.47 -2.00 317.29 0.00e+00 3.845261e-04 2.165838e-04 1.135000e-04 -6.000000e+00 3.504141e-04 283.56 -2.00 20.00 -2.00 316.56 0.00e+00 2.453 0.000 302.00 328.00 3 3.9433e+00 3.8973e-03 2.8208e-02 -6.0000e+00 1.9394e-02 9.9355e-03 4.3903e-03 1.4571e-02 -6.0000e+00 2.1061e-02 -1.7041e-03 2.6640e-03 7.1979e-03 -6.0000e+00 1.2583e-02 -3.6613e-03 1.3350e-03 2.0692e-03 -6.0000e+00 5.4114e-03 6.4737e-04 2.8188e-04 8.3897e-05 2.2664e-05 -6.0000e+00 3.6922e-04 2.3746e-03 9.3379e-05 12 1 1 12 1 1 99.80 21.95 0.29 0.00237 0.00449 8 9 1 5 0 1312.340 26.41 20.00 21.95 23.88 3.5 989.25 4031 -817 -1183 -4219 -1902 -6702 -826 289 653 -1656 -5014 -4991 570 -2307 2920 98 3472 115 1812 545 335 -680 1482 1619 1337 -16 170 -2173 170 -2303 1089 -1447 402 -892 -4012 -1558 -2095 -1368 -400 266 491 -77 -776 -371 -128 -698 -476 1074 -1189 427 -102 1117 635 1291 802 818 690 -290 482 -92 796 1199 1666 2104 279 -350 34 -1286 593 550 382 98 91 821 238 -109 -963 -1034 -1674 -1088 -1029 -893 -1482 -1678 -591 -786 -6 678 869 155 654 221 -256 201 128 264 299 351 587 -112 -362 -505 -1042 128 -827 -864 -1000 -475 68 351 361 200 192 446 92 103 198 278 36 200 -275 70 270 427 326 441 -608 1051 48 363 147 -223 -155 -35 310 -99 -147 -395 -36 250 99 -62 -695 370 -89 -135 -485 -195 -666 -79 30 77 -215 -677 -678 80 -382 527 20 738 26 423 133 84 -173 372 424 371 -5 51 -637 46 -621 295 -432 128 -303 -1357 -494 -693 -505 -170 129 259 -43 -445 -215 -75 -408 -276 607 -676 240 -59 682 409 863 554 575 495 -210 344 -65 567 890 1311 1746 239 -291 27 -988 461 465 348 93 88 769 215 -93 -766 -786 -1293 -904 -931 -867 -1521 -1782 -648 -903 -7 824 1062 187 759 244 -267 203 132 290 352 441 774 -149 -469 -621 -1229 151 -1026 -1119 -1333 -649 96 513 548 308 294 659 129 140 264 379 51 295 -415 106 401 618 461 606 -813 1379 66 521 219 -340 -239 -56 503 -166 -252 -686 -62 432 168 -102 -1137 SS 20231029T142404.6Z 8702.600053 345 1 48.71 2 62.70 139.09 109.33 314.07 0.00 1 0.00 1 0 17 9.268e-03 5.549e-03 2.355e-03 8.539e-04 2.577179e-01 4.271493e-04 3.082817e-03 -6.000000e+00 5.245580e-03 225.02 -2.00 3.47 -2.00 316.93 0.00e+00 4.432322e-04 5.667002e-05 1.045603e-04 -6.000000e+00 2.340097e-04 283.55 -2.00 20.00 -2.00 316.20 0.00e+00 2.168 0.000 302.00 328.00 3 3.2838e+00 1.1152e-03 2.4986e-02 -6.0000e+00 1.2951e-02 -1.3588e-03 1.2535e-03 1.2967e-02 -6.0000e+00 1.4064e-02 1.8111e-03 7.4512e-04 6.4110e-03 -6.0000e+00 8.4029e-03 -5.3139e-03 3.6557e-04 1.8483e-03 -6.0000e+00 3.6137e-03 1.7366e-03 2.5636e-04 2.4177e-05 2.0313e-05 -6.0000e+00 2.4657e-04 2.2474e-03 8.4711e-05 11 1 0 11 8 0 99.98 22.01 0.25 0.00225 0.00417 158 37 1 5 0 308.270 26.41 20.00 22.01 24.63 3.6 993.07 636 -337 -359 -2381 -3292 -3857 -1436 737 404 -789 -2603 -2031 -699 -226 409 219 -241 202 873 1477 947 677 1097 902 729 552 -99 -940 -308 -289 626 445 1359 -143 -2671 -2044 -2597 -1189 -412 -229 -609 -856 -688 -549 73 -123 -333 -87 -798 -626 223 756 551 1091 764 716 1063 240 386 337 945 1147 1662 1555 664 -109 -149 -462 591 907 355 66 289 443 96 -93 -781 -1086 -1188 -852 -1107 -1371 -1820 -1673 -658 -519 30 230 440 538 376 433 -289 97 258 97 278 487 427 -115 -218 -914 -830 -168 -623 -958 -619 -522 18 555 408 503 411 335 -40 159 0 127 108 16 -240 -11 311 200 460 331 -98 649 308 242 97 -205 -235 67 69 -57 -17 190 114 -65 -30 -300 -701 77 -46 -52 -341 -427 -460 -170 95 59 -126 -426 -329 -121 -45 86 52 -61 52 235 410 273 195 315 271 234 186 -34 -312 -94 -85 188 145 479 -54 -998 -717 -955 -460 -190 -117 -349 -522 -433 -351 47 -78 -211 -54 -483 -375 137 498 363 755 551 529 800 183 289 248 703 906 1339 1352 598 -94 -117 -367 480 778 323 64 282 420 92 -81 -647 -838 -928 -693 -1024 -1335 -1923 -1757 -726 -615 35 285 550 657 431 477 -307 97 267 104 332 612 553 -152 -286 -1107 -985 -200 -762 -1260 -809 -713 26 799 625 758 633 485 -56 216 0 166 151 22 -358 -17 449 293 638 438 -130 836 420 340 144 -302 -351 103 108 -95 -29 318 193 -108 -51 -489 -1111 SS 20231029T155507.6Z 8702.663283 407 1 2.47 2 54.11 163.13 119.01 334.15 0.00 1 0.00 1 0 17 8.969e-03 6.222e-03 4.970e-03 2.975e-03 2.062343e-01 1.502554e-03 2.516034e-03 -6.000000e+00 5.073793e-03 225.01 -2.00 3.47 -2.00 315.52 0.00e+00 6.671592e-04 1.448721e-04 2.575544e-05 -6.000000e+00 2.264776e-04 283.55 -2.00 20.00 -2.00 314.88 0.00e+00 1.701 0.000 302.00 328.00 3 3.2545e+00 3.8473e-03 1.9734e-02 -6.0000e+00 1.2527e-02 1.2948e-02 4.2860e-03 1.0434e-02 -6.0000e+00 1.3606e-02 -2.6247e-03 2.4675e-03 5.1484e-03 -6.0000e+00 8.1287e-03 -3.3918e-03 1.1301e-03 1.5142e-03 -6.0000e+00 3.4943e-03 3.0462e-03 -5.9009e-04 8.3291e-05 1.8466e-05 -6.0000e+00 2.3865e-04 2.4414e-03 -4.9115e-05 12 1 1 12 9 1 21.91 22.16 0.36 0.00244 -0.00199 4 23 1 5 0 493.140 26.51 20.00 22.16 26.05 3.5 1000.45 344 -714 -29 -2971 -3808 -2560 -1981 339 -73 -765 -1353 -394 449 949 777 -123 -163 -551 1644 765 859 1715 1475 1033 121 150 1441 -296 -483 776 890 690 754 213 -2207 -1454 -1862 -1664 -139 -478 -390 -1135 -656 -806 322 -555 -588 -564 -106 -174 177 699 1436 1405 732 815 1262 150 -18 194 227 1460 855 1852 683 -183 -281 -440 561 606 202 -54 98 205 -261 -532 -277 -1173 -1186 -495 -998 -1339 -1919 -1668 -678 -384 -324 223 289 443 491 637 -265 326 360 -488 579 370 635 -446 -307 -445 -771 -515 -121 -798 -638 -570 34 743 424 553 173 456 104 358 -168 161 61 320 -259 81 351 122 608 57 166 815 43 91 265 -309 -40 261 343 -312 -257 -72 30 301 -243 -450 -640 90 -195 -8 -829 -1032 -623 -482 89 -20 -226 -400 -113 137 327 283 -50 -70 -242 729 329 380 748 642 468 58 75 722 -144 -218 351 408 316 372 111 -1125 -691 -923 -883 -82 -314 -285 -836 -495 -618 243 -423 -441 -432 -78 -127 132 522 1127 1157 596 675 1059 127 -15 160 190 1280 779 1787 679 -172 -252 -372 481 555 197 -56 103 210 -253 -494 -241 -995 -1006 -436 -948 -1348 -2090 -1815 -774 -451 -389 277 363 544 588 725 -287 328 371 -528 657 446 825 -569 -386 -536 -907 -609 -148 -1009 -842 -755 47 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