File name: Pandora32s1_GreenbeltMD_20240831_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20240901T051151.3Z 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 v1.8.59 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20240831_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: 20240831 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 20240831T132617.2Z 9009.559921 202 1 1.70 2 58.08 106.55 30.81 115.95 0.00 1 0.00 1 0 17 2.164e-02 9.605e-03 1.459e-02 6.485e-03 2.508266e-01 3.314761e-03 3.039556e-03 -6.000000e+00 1.248154e-02 230.34 -2.00 3.47 -2.00 316.42 0.00e+00 7.311886e-04 3.918097e-04 5.554698e-05 -6.000000e+00 5.609524e-04 289.74 -2.00 20.00 -2.00 315.61 0.00e+00 1.884 0.000 302.00 328.00 3 3.6475e+00 8.6737e-03 2.2816e-02 -6.0000e+00 3.1137e-02 -2.8680e-03 9.6910e-03 1.3071e-02 -6.0000e+00 3.3660e-02 9.7124e-03 5.6171e-03 6.3511e-03 -6.0000e+00 2.0100e-02 -8.2182e-03 2.6566e-03 1.8435e-03 -6.0000e+00 8.5898e-03 1.5781e-03 -2.3659e-04 1.8212e-04 2.1453e-05 -6.0000e+00 5.7686e-04 7.2714e-03 -7.3135e-05 12 9 9 12 5 5 999.00 -62.18 0.28 0.00727 0.00549 1 13 1 5 0 849.390 27.05 20.00 -62.18 30.26 5.1 1035.94 10906 -1516 5806 -5856 -8445 -8255 -2489 1747 222 1742 -7720 -266 1176 -2739 6286 -3700 -953 849 1621 4245 915 19 706 -900 890 -459 3108 1261 263 -428 134 -308 3229 2352 -3504 1667 -2294 -1127 -44 -1633 -1043 -2435 -1061 -813 -579 1293 -2970 -2243 201 -19 -34 461 1045 1978 2046 501 2363 939 -837 550 1190 2064 493 1695 -484 -692 811 -266 601 198 116 483 392 581 194 -165 -908 -519 -709 -1258 -391 -1653 -2082 -1498 -1011 -237 -378 813 -1196 58 829 205 812 -306 1400 136 989 867 29 -99 -289 -1119 -960 686 -390 -1449 -9 -1361 853 156 982 728 397 498 523 95 -490 -738 -808 -514 -727 -901 575 789 329 820 -40 830 344 1203 1129 -1486 431 218 -87 -594 465 310 -190 245 -843 118 -713 1575 -270 1012 -1095 -1473 -1338 -392 292 42 344 -1652 -53 251 -680 1625 -1131 -299 270 531 1400 318 7 246 -329 336 -181 1204 480 95 -152 49 -119 1299 989 -1491 657 -967 -522 -23 -971 -665 -1627 -718 -555 -396 873 -2050 -1514 132 -13 -23 324 760 1479 1567 393 1859 746 -667 431 942 1689 430 1533 -450 -621 681 -218 503 179 112 480 394 573 186 -149 -770 -420 -580 -1105 -368 -1669 -2206 -1626 -1136 -276 -457 1000 -1495 71 975 230 857 -316 1456 150 1159 1078 38 -130 -368 -1365 -1126 803 -480 -1867 -11 -1845 1172 223 1442 1086 585 709 709 124 -634 -977 -1110 -734 -1061 -1317 822 1104 449 1087 -52 1058 454 1645 1595 -2166 626 323 -134 -944 748 504 -312 399 -1356 186 -1106 SS 20240831T133056.1Z 9009.563149 205 1 48.60 2 57.21 107.45 30.02 117.36 0.00 1 0.00 1 0 17 8.581e-03 5.662e-03 1.947e-03 7.961e-04 2.497821e-01 4.064738e-04 2.966607e-03 -6.000000e+00 4.950214e-03 230.34 -2.00 3.47 -2.00 316.65 0.00e+00 2.966890e-04 5.044353e-05 6.065142e-05 -6.000000e+00 2.224313e-04 289.74 -2.00 20.00 -2.00 315.82 0.00e+00 1.840 0.000 302.00 328.00 3 3.4336e+00 1.0658e-03 2.2358e-02 -6.0000e+00 1.2349e-02 6.8247e-03 1.1924e-03 1.2837e-02 -6.0000e+00 1.3348e-02 1.7291e-03 6.9592e-04 6.2471e-03 -6.0000e+00 7.9710e-03 -4.2737e-03 3.3270e-04 1.7342e-03 -6.0000e+00 3.4074e-03 2.0404e-03 1.7982e-04 2.2478e-05 1.9795e-05 -6.0000e+00 2.2868e-04 7.0538e-03 1.1892e-07 12 1 1 12 4 4 99.78 -62.18 0.22 0.00705 0.00841 167 39 1 5 0 290.980 27.15 20.01 -62.18 30.53 5.1 1037.46 1035 -966 -134 -2787 -2972 -1863 -623 1120 841 -442 -2408 -1063 -280 -64 690 393 151 309 858 732 389 245 952 704 613 97 281 -675 -361 -361 985 993 2275 -32 -2633 -1797 -2326 -998 -112 -276 -810 -830 -886 -813 -275 -231 -715 -409 -701 -495 327 658 640 963 713 882 1188 316 377 394 787 1421 1303 1603 643 -212 -201 -664 765 1113 107 111 -50 229 178 -29 -462 -969 -806 -541 -1089 -1293 -1708 -1695 -746 -607 -165 132 205 632 431 650 -185 422 723 281 296 579 274 -173 -374 -776 -732 84 -455 -1028 -628 -644 -272 284 375 381 223 256 155 192 301 76 -25 -41 -362 -63 202 198 509 523 -43 877 416 350 296 -250 -184 96 42 -26 -119 156 74 -97 -29 -408 -618 146 -157 -22 -463 -441 -252 -85 167 143 -82 -453 -196 -56 -15 165 105 43 90 260 230 126 79 307 238 220 37 107 -248 -123 -118 326 356 875 -12 -1069 -685 -936 -424 -57 -155 -508 -516 -569 -530 -178 -149 -458 -254 -454 -317 216 436 451 712 548 692 893 240 299 308 624 1120 1119 1392 575 -190 -164 -519 612 1001 102 112 -51 227 166 -26 -372 -775 -652 -457 -988 -1304 -1764 -1836 -851 -706 -203 160 252 791 506 729 -190 430 760 308 343 741 361 -230 -472 -946 -878 101 -565 -1308 -833 -893 -375 414 554 576 329 369 214 247 398 100 -35 -59 -540 -94 291 275 702 687 -56 1120 563 486 416 -363 -270 146 64 -43 -192 257 124 -159 -49 -651 -960 SS 20240831T142544.0Z 9009.601203 242 1 32.75 2 47.45 119.38 21.88 139.40 0.00 1 0.00 1 0 17 1.714e-02 8.081e-03 7.607e-03 3.671e-03 2.098064e-01 1.874336e-03 2.490289e-03 -6.000000e+00 9.894309e-03 230.34 -2.00 3.47 -2.00 316.23 0.00e+00 3.401508e-04 2.119848e-04 3.311901e-05 -6.000000e+00 4.443989e-04 289.74 -2.00 20.00 -2.00 315.43 0.00e+00 1.476 0.000 302.00 328.00 3 6.1718e+00 4.8940e-03 1.8229e-02 -6.0000e+00 2.4683e-02 4.3454e-02 5.4638e-03 1.0758e-02 -6.0000e+00 2.6676e-02 -1.9221e-03 3.1520e-03 5.2334e-03 -6.0000e+00 1.5930e-02 -2.5607e-03 1.4703e-03 1.4731e-03 -6.0000e+00 6.8123e-03 1.9845e-04 6.5983e-04 1.0377e-04 1.7084e-05 -6.0000e+00 4.5678e-04 6.5321e-03 9.6147e-05 12 9 1 12 5 5 99.99 -62.18 0.65 0.00653 0.01149 9 4 1 5 0 3274.690 27.45 19.99 -62.18 32.51 5.0 1046.75 1199 -975 -3110 -1428 -5495 -8951 7306 -1523 4635 -1881 -3380 -1760 -1089 -311 -295 1141 -618 3134 2790 4786 573 -2357 572 1184 503 -146 1924 121 273 -1577 1051 1080 4974 -1286 -3689 -1804 -2253 -3083 -2992 367 -1959 334 888 200 208 120 1348 548 -818 370 -584 1241 1455 425 41 559 852 -445 17 -85 600 435 2000 1071 -787 -1000 -1076 -894 -169 1107 -267 -538 -933 -341 394 69 -509 -719 127 -234 -217 -531 -1220 -1662 -56 -78 361 23 673 1125 608 1519 -557 189 778 186 -756 719 1104 -217 99 -1239 -1223 -195 -1336 -909 -505 -251 -1054 435 930 241 699 -30 139 -657 719 -1 55 126 -567 46 920 232 280 169 -370 200 52 335 91 -428 -410 -126 289 296 509 -670 659 -164 639 -601 -860 220 -202 -678 -295 -1061 -1643 1175 -292 939 -429 -778 -394 -259 -82 -87 362 -208 1042 960 1662 211 -889 210 448 201 -61 792 48 102 -575 381 415 1972 -557 -1570 -718 -938 -1453 -1636 223 -1315 230 622 142 148 85 935 373 -549 243 -396 874 1070 327 32 446 690 -364 13 -68 483 367 1770 1002 -754 -914 -915 -728 -140 992 -261 -548 -962 -344 379 62 -422 -564 99 -198 -200 -529 -1285 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