File name: Pandora32s1_GreenbeltMD_20250522_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20250523T051234.8Z 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 v1.8.75 Instrument operation file used: Pandora32_OF_v2d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20250522_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: 20250522 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 20250522T162400.7Z 9273.683342 361 1 48.49 2 20.38 152.10 60.51 242.42 0.00 1 0.00 1 0 17 7.437e-03 5.581e-03 1.245e-03 8.018e-04 1.808350e-01 4.149339e-04 2.165075e-03 -6.000000e+00 4.310837e-03 231.53 -2.00 3.47 -2.00 315.16 0.00e+00 2.314729e-04 3.668603e-05 2.148365e-05 -6.000000e+00 1.890201e-04 285.08 -2.00 20.00 -2.00 314.51 0.00e+00 1.067 0.000 302.00 328.00 3 4.3277e+00 1.0734e-03 1.4224e-02 -6.0000e+00 1.0803e-02 2.1652e-02 1.1897e-03 9.2882e-03 -6.0000e+00 1.1674e-02 -8.8905e-04 6.8053e-04 4.5322e-03 -6.0000e+00 6.9446e-03 -2.9514e-03 3.0234e-04 1.2588e-03 -6.0000e+00 2.9492e-03 1.9820e-03 2.4664e-04 2.2355e-05 1.5732e-05 -6.0000e+00 1.9819e-04 3.0233e-03 4.6631e-06 10 0 0 10 0 0 99.97 21.69 0.35 0.00302 0.00488 121 28 1 5 0 400.730 26.51 20.02 21.69 25.35 5.9 1011.83 1133 -784 -1097 -2171 -2654 -1831 -504 1250 1254 39 -828 -684 375 -70 607 204 -270 488 539 993 819 352 1012 825 622 237 -67 -537 -126 56 689 1075 1803 -4 -1904 -1311 -1293 -893 -444 -385 -859 -689 -898 -650 -310 -243 -566 -449 -748 -360 420 619 724 955 662 793 883 277 477 630 835 1199 1304 1220 333 -204 -344 -363 523 881 -79 -16 -47 281 113 -167 -258 -764 -586 -597 -1161 -1209 -1743 -1536 -802 -583 -392 107 144 433 380 571 -45 507 742 439 353 603 312 -201 -232 -648 -521 89 -571 -957 -538 -676 -192 265 287 253 262 139 194 327 249 171 53 93 -378 14 137 124 462 502 240 880 468 298 163 -171 -208 193 71 4 -174 46 -52 -146 -59 -419 -523 332 -239 -346 -661 -779 -484 -133 357 403 14 -286 -231 133 -26 249 92 -127 232 245 461 391 167 476 402 320 127 -36 -277 -60 27 330 544 898 -2 -974 -675 -643 -506 -280 -267 -662 -557 -747 -545 -258 -200 -460 -350 -564 -264 313 488 602 829 558 679 768 243 410 533 716 1084 1271 1196 333 -202 -308 -323 474 838 -80 -17 -50 294 112 -159 -234 -638 -486 -543 -1122 -1217 -1890 -1646 -904 -706 -478 135 184 538 466 634 -48 528 743 478 402 753 399 -260 -284 -769 -579 99 -696 -1191 -696 -911 -256 369 419 359 377 187 248 407 303 215 68 128 -520 19 183 168 591 641 289 1029 573 390 213 -229 -282 268 99 7 -253 68 -78 -218 -89 -615 -746 SS 20250522T163243.2Z 9273.689388 367 1 18.13 2 19.66 157.67 61.96 244.19 0.00 1 0.00 1 0 17 7.165e-03 5.530e-03 5.003e-04 3.321e-04 1.795696e-01 1.719738e-04 2.148438e-03 -6.000000e+00 4.152962e-03 231.53 -2.00 3.47 -2.00 315.04 0.00e+00 2.309382e-04 1.487845e-05 2.105015e-05 -6.000000e+00 1.820993e-04 285.08 -2.00 20.00 -2.00 314.41 0.00e+00 1.062 0.000 302.00 328.00 3 1.6407e+00 4.4449e-04 1.4135e-02 -6.0000e+00 1.0408e-02 1.3036e-02 4.9204e-04 9.2097e-03 -6.0000e+00 1.1247e-02 -1.6431e-03 2.8132e-04 4.4889e-03 -6.0000e+00 6.6903e-03 -2.5738e-03 1.2475e-04 1.2436e-03 -6.0000e+00 2.8412e-03 2.9433e-02 1.7573e-04 9.2532e-06 1.5640e-05 -6.0000e+00 1.9094e-04 2.7386e-03 -6.9856e-06 12 1 1 12 9 1 100.00 21.81 0.30 0.00274 0.00406 652 411 1 5 0 27.750 26.62 20.00 21.81 26.29 5.9 1017.91 344 -657 -496 -2136 -2113 -1475 -602 897 1127 100 -1255 -377 143 104 501 -5 -34 367 779 835 1162 488 1004 976 438 439 -186 -655 -138 148 945 926 1482 -291 -2177 -1503 -1712 -741 -191 -435 -841 -757 -635 -796 -391 -406 -652 -594 -664 -354 471 807 692 899 589 841 947 260 541 590 968 1200 1286 1262 321 -229 -255 -338 581 686 77 43 -24 161 27 -49 -321 -623 -515 -470 -1108 -1215 -1686 -1583 -784 -684 -228 0 56 348 266 442 -4 567 680 246 312 451 279 -163 -217 -525 -427 224 -440 -977 -553 -593 -206 330 281 283 254 309 102 390 233 274 87 13 -330 -63 111 129 454 445 123 903 450 238 148 -218 -155 73 49 -101 -90 125 -36 -135 -36 -388 -527 102 -218 -169 -707 -618 -422 -172 279 363 35 -437 -127 51 41 207 -2 -16 176 382 421 599 251 512 515 229 238 -102 -342 -71 71 455 472 802 -156 -1210 -780 -926 -424 -122 -308 -661 -625 -507 -643 -313 -324 -541 -474 -510 -265 358 649 588 752 509 736 842 233 475 511 849 1111 1216 1270 330 -221 -234 -290 507 634 79 45 -25 165 27 -48 -281 -531 -436 -413 -1098 -1258 -1785 -1750 -868 -815 -274 0 71 428 320 508 -4 574 701 262 367 555 353 -209 -274 -613 -490 259 -527 -1204 -709 -792 -272 457 392 401 364 412 130 478 280 339 110 17 -452 -86 155 173 576 562 147 1096 545 309 192 -290 -208 101 68 -148 -131 187 -54 -203 -53 -569 -753 SS 20250522T164531.9Z 9273.698285 376 1 1.92 2 18.89 166.46 64.12 246.72 0.00 1 0.00 1 0 17 1.065e-02 7.807e-03 6.809e-03 4.845e-03 1.780689e-01 2.524313e-03 2.173461e-03 -6.000000e+00 6.171413e-03 231.53 -2.00 3.47 -2.00 314.70 0.00e+00 1.983261e-04 2.039585e-04 2.520382e-05 -6.000000e+00 2.707317e-04 285.08 -2.00 20.00 -2.00 314.10 0.00e+00 1.057 0.000 302.00 328.00 3 4.1440e+00 6.5031e-03 1.4100e-02 -6.0000e+00 1.5466e-02 2.0417e-02 7.1868e-03 9.2201e-03 -6.0000e+00 1.6716e-02 2.1802e-03 4.1140e-03 4.5077e-03 -6.0000e+00 9.9432e-03 -3.7547e-03 1.8040e-03 1.2468e-03 -6.0000e+00 4.2210e-03 2.4169e-03 -4.2154e-04 1.3436e-04 1.6667e-05 -6.0000e+00 2.8395e-04 3.3212e-03 -1.1379e-04 12 9 1 12 1 1 999.00 22.03 0.37 0.00332 0.00015 1 12 1 5 0 956.190 26.83 20.02 22.03 27.57 5.8 1023.25 1416 163 -1096 -1666 -2473 -4293 505 -180 2576 -275 -536 -214 -2516 3855 -121 588 281 739 1417 1275 930 -461 1378 40 1541 261 -1363 -92 -505 -1045 1133 184 2170 -845 -2494 -1850 -2648 -865 -1841 51 -325 -172 -757 -1789 123 641 -1144 -241 -35 -811 158 1434 949 819 155 1812 535 897 542 464 1069 733 1470 1673 169 227 -614 -473 355 577 522 -354 40 -535 984 -396 -1620 577 -483 388 -244 -887 -2527 -1254 -1320 -527 62 -102 333 -214 266 614 131 70 480 535 395 130 -52 -530 -222 -302 -254 436 -1191 -926 -643 -1215 168 51 92 115 1016 -76 431 922 -44 528 134 -10 -895 12 375 482 919 86 545 512 549 799 541 -24 -448 1351 -250 -129 -273 -474 -531 -727 -418 84 -23 482 60 -418 -618 -849 -1393 160 -61 942 -108 -208 -82 -1018 1618 -56 290 143 378 737 676 504 -251 739 22 874 153 -811 -52 -275 -550 591 100 1219 -496 -1436 -1021 -1508 -531 -1269 38 -260 -141 -636 -1521 103 535 -955 -196 -28 -639 125 1172 803 712 138 1610 484 810 486 413 959 681 1421 1674 172 222 -567 -422 319 554 531 -373 42 -562 996 -383 -1478 495 -416 351 -237 -911 -2725 -1376 -1498 -620 75 -126 415 -264 316 692 140 72 497 580 452 157 -65 -671 -272 -354 -288 496 -1426 -1151 -816 -1582 222 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