File name: Pandora32s1_GreenbeltMD_20231123_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231124T060946.3Z 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_20231123_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: 20231123 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 20231123T123312.9Z 8727.523066 145 1 48.72 2 84.97 121.36 135.47 335.48 0.00 1 0.00 1 0 33 2.750e-01 5.486e-02 1.308e-01 2.738e-02 9.010809e-01 1.477700e-02 9.884143e-03 -6.000000e+00 1.547585e-01 223.48 -2.00 3.47 -2.00 320.90 0.00e+00 -2.110452e-02 3.120380e-03 4.316765e-03 -6.000000e+00 6.897637e-03 280.67 -2.00 20.00 -2.00 320.16 0.00e+00 9.779 0.016 302.00 328.00 3 2.7646e-01 4.2216e-02 1.1361e-01 -6.0000e+00 3.8157e-01 2.0174e+00 4.9098e-02 7.7171e-02 -6.0000e+00 4.1568e-01 -2.1762e+00 2.7400e-02 2.1135e-02 -6.0000e+00 2.4792e-01 7.4757e-01 1.5157e-02 2.1075e-02 -6.0000e+00 1.0627e-01 1.0255e-05 3.0540e-03 6.9542e-04 2.3836e-04 -6.0000e+00 7.3154e-03 6.4378e-03 -7.6475e-05 12 8 8 10 0 0 19.29 20.92 2.56 0.00644 0.02939 20 5 1 5 0 2435.780 25.58 19.99 20.92 11.28 3.7 919.68 125165 33205 30595 -12129 -391 -3542 9956 9626 -23620 13118 -15121 -24408 60582 15920 42312 40583 18203 17737 -9649 900000 -19020 10669 10451 -14665 64942 31630 66796 -26868 -39353 -65360 18871 -44166 -21259 46958 -38289 -62453 -40294 -13243 -27557 25644 93391 28740 62778 63353 -4722 15151 7052 43088 6915 5737 10434 -14023 31866 36622 -6294 49759 59255 10261 19482 6720 1833 -31693 -1791 -9759 25074 -18559 44197 18766 -903 64134 17530 8398 10264 39147 -18610 -7058 -5528 -20070 -1570 -23759 -15363 9913 2636 5042 11046 12259 33778 6853 -45 -1528 -2751 -8564 1518 -7282 -2200 6521 2606 9598 10707 -4762 2005 -8797 -6646 -8810 -1153 -4476 4458 151 -3325 7616 -5469 5105 -115 -2501 2718 -1372 -3108 -7191 5144 -610 2216 1222 5390 2666 397 3292 -2159 -2792 -2498 212 1349 -6074 -1158 -624 7698 1148 -162 -2576 -930 1674 -1319 734 897 10631 6849 5791 -2885 -64 -524 1329 1448 -5445 2165 -3229 -5627 6175 2666 5750 5811 3225 3056 -2084 900000 -3831 1450 1420 -2847 6304 4375 5998 -5151 -7067 -13958 1832 -8896 -3663 4513 -7062 -13338 -7041 -2025 -5885 4176 8477 5064 7541 6934 -920 2225 1054 4371 1015 888 1671 -3145 4849 5670 -1579 7439 8225 2246 3536 1238 333 -8291 -382 -2501 4752 -5301 6607 3757 -243 10272 4867 2623 3042 7942 -5912 -1734 -1225 -5197 -377 -8435 -5906 3414 1084 2153 4688 5400 12444 3348 -23 -755 -1278 -3978 628 -3499 -1151 3673 1781 7046 8574 -4513 1665 -7233 -4808 -6444 -837 -3573 3439 131 -3364 8011 -7519 6923 -170 -3772 3759 -1916 -4448 -11230 7511 -973 3366 1782 7223 3594 535 4184 -2830 -3920 -4082 394 2553 -13517 -2639 -1534 18830 3177 -464 -7671 -2709 4542 -3416 1719 2018 SS 20231123T124525.0Z 8727.531539 148 1 48.54 2 82.97 123.42 136.29 339.50 0.00 1 0.00 1 0 17 3.636e-01 2.164e-02 9.397e-02 5.589e-03 8.189105e-01 3.015233e-03 9.341776e-03 -6.000000e+00 2.043248e-01 223.48 -2.00 3.47 -2.00 321.79 0.00e+00 7.586218e-03 1.552435e-03 2.393354e-03 -6.000000e+00 9.069429e-03 280.67 -2.00 20.00 -2.00 321.30 0.00e+00 7.502 0.007 302.00 328.00 3 5.0819e-01 1.0844e-02 8.5608e-02 -6.0000e+00 5.0323e-01 8.3621e-01 1.3930e-02 4.3640e-02 -6.0000e+00 5.4757e-01 -1.1723e+00 1.1720e-02 2.4007e-02 -6.0000e+00 3.2694e-01 4.8672e-01 5.6423e-03 9.9103e-03 -6.0000e+00 1.4052e-01 8.7008e-05 -1.7460e-03 1.4615e-04 1.5984e-04 -6.0000e+00 9.6726e-03 6.5629e-03 -6.8659e-05 12 9 8 11 8 0 31.86 20.92 0.92 0.00656 -0.00656 77 18 1 5 0 630.310 25.58 20.00 20.92 11.83 3.7 922.69 -101641 -86265 -59543 -95380 -62318 -158985 -82099 -128455 -119867 -117148 -111866 -123647 -57486 -56770 -32958 -12500 -22579 -4008 19426 -1696 -17702 -22598 -644 -21038 -18308 -13012 -26976 -51466 -32649 -36145 986 -17412 26030 1312 11333 5830 -1954 16514 7680 49268 33963 42225 14627 39708 29497 28975 27945 27614 11742 19600 29362 38517 28096 46164 28719 33870 32133 12216 21004 16128 14798 18088 16153 23926 14414 16929 13836 17554 11086 16648 10928 7379 6815 4858 5953 -2440 -4169 -108 -8799 -2011 -2449 682 -2271 -387 1121 -1000 1739 91 -45 2176 -428 -2060 -4389 -3616 -4730 -2928 -2069 -1545 -1994 -2932 -1437 -2298 -2895 -1712 -2974 -3229 -2236 -1562 -1265 -1338 -360 -550 -569 -542 464 -87 -499 -42 12 178 1685 1925 3100 1901 2288 930 1721 1446 373 947 855 576 226 217 439 92 386 -543 -401 25 -348 -857 -1880 -3022 -2564 -1416 -3072 -1359 -7168 -1790 -4137 -4050 -3895 -3475 -4515 -1316 -1671 -970 -361 -812 -129 519 -56 -675 -850 -19 -757 -659 -447 -1044 -2412 -1210 -1438 32 -826 936 66 494 248 -91 711 427 2121 1907 2324 1100 2359 1929 1911 1889 1926 1005 1645 2448 3275 2909 4302 3365 3876 3800 1738 2610 2004 1855 2356 2447 3860 2812 3257 2700 3377 2471 4029 2843 2091 1928 1317 1587 -626 -997 -25 -2470 -636 -849 267 -1030 -184 558 -540 963 53 -26 1212 -230 -1057 -2220 -1868 -2789 -2008 -1669 -1451 -1950 -3020 -1397 -2208 -2488 -1397 -2602 -3036 -2202 -1644 -1348 -1639 -501 -844 -907 -858 702 -128 -730 -63 19 301 2786 3041 4611 2780 3239 1294 2298 1991 591 1742 1644 1210 508 523 1132 234 1006 -1448 -1068 63 -899 -2057 -4302 SS 20231123T125609.2Z 8727.538995 151 1 48.54 2 81.25 125.27 136.88 343.12 0.00 1 0.00 1 0 25 5.284e-01 1.328e-02 5.369e-02 2.184e-03 7.113101e-01 1.146362e-03 8.204093e-03 -6.000000e+00 2.969262e-01 223.48 -2.00 3.47 -2.00 321.19 0.00e+00 6.120588e-03 5.463929e-04 2.850448e-03 -6.000000e+00 1.317995e-02 280.67 -2.00 20.00 -2.00 320.67 0.00e+00 6.209 0.004 302.00 328.00 3 3.9899e-01 3.8350e-03 7.1855e-02 -6.0000e+00 7.3130e-01 2.5289e-01 5.1860e-03 3.8902e-02 -6.0000e+00 7.9574e-01 -3.6761e-01 5.1076e-03 2.2741e-02 -6.0000e+00 4.7512e-01 1.5203e-01 2.4515e-03 8.9739e-03 -6.0000e+00 2.0420e-01 3.8922e-04 -1.0135e-03 5.8029e-05 1.2524e-04 -6.0000e+00 1.4057e-02 6.3332e-03 -8.7611e-05 12 8 8 10 0 0 15.81 20.93 0.52 0.00633 -0.00128 187 44 1 5 0 259.560 25.58 20.01 20.93 12.33 3.7 925.21 -201231 -151193 -176350 -161873 -146822 -198111 -142399 -179318 -138699 -162418 -136238 -140474 -138822 -83391 -87962 -32787 -63941 -55476 -41486 -38645 -31628 -42888 -23143 -52367 -45201 -24830 -31044 -19647 -41533 -27446 -24318 -21242 8081 -6165 2873 -13934 -10213 -3872 -4551 10747 5069 13867 4252 8657 10811 9501 12029 8008 11126 6477 8401 11280 11368 16795 9583 8638 7902 4001 6315 2714 7386 5108 7579 8150 6139 6795 4540 6575 4446 4940 4109 2092 2958 1453 1173 -484 -703 -1879 -3555 189 -967 -892 -2696 -1953 -674 -1843 174 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