File name: Pandora127s1_Mainz-MPIC_20250830_L2Fit_fout2c5d20250721p1-8.txt File generation date: 20250902T111009.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Thomas Wagner Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 127 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora127_OF_v4d20210611.txt Instrument calibration file used: Pandora127s1_CF_v6d20250721.txt Level 1 file used: Pandora127s1_Mainz-MPIC_20250830_L1_smca1c5d20250721p1-8.txt Full location name: Max-Planck-Institute for Chemistry, Mainz Short location name: Mainz-MPIC Country of location: Germany Location latitude [deg]: 49.9910 Location longitude [deg]: 8.2280 Location altitude [m]: 125 Local noon date: 20250830 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0664 305.2071 305.3478 305.4884 305.6291 305.7697 305.9103 306.0510 306.1916 306.3321 306.4727 306.6133 306.7538 306.8944 307.0349 307.1754 307.3159 307.4564 307.5968 307.7373 307.8777 308.0182 308.1586 308.2990 308.4394 308.5798 308.7202 308.8605 309.0009 309.1412 309.2815 309.4218 309.5621 309.7024 309.8427 309.9829 310.1232 310.2634 310.4036 310.5438 310.6840 310.8242 310.9644 311.1045 311.2447 311.3848 311.5249 311.6650 311.8051 311.9452 312.0853 312.2253 312.3654 312.5054 312.6454 312.7854 312.9254 313.0654 313.2054 313.3453 313.4853 313.6252 313.7651 313.9050 314.0449 314.1848 314.3247 314.4645 314.6044 314.7442 314.8840 315.0238 315.1636 315.3034 315.4432 315.5829 315.7227 315.8624 316.0021 316.1418 316.2815 316.4212 316.5609 316.7005 316.8402 316.9798 317.1194 317.2591 317.3986 317.5382 317.6778 317.8174 317.9569 318.0964 318.2360 318.3755 318.5150 318.6545 318.7939 318.9334 319.0728 319.2123 319.3517 319.4911 319.6305 319.7699 319.9093 320.0486 320.1880 320.3273 320.4666 320.6059 320.7452 320.8845 321.0238 321.1631 321.3023 321.4416 321.5808 321.7200 321.8592 321.9984 322.1376 322.2767 322.4159 322.5550 322.6942 322.8333 322.9724 323.1115 323.2505 323.3896 323.5287 323.6677 323.8067 323.9458 324.0848 324.2238 324.3627 324.5017 324.6407 324.7796 324.9185 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20250830T073919.5Z 9373.318976 146 1 48.64 2 62.42 110.61 135.25 73.77 0.00 1 0.00 1 0 17 1.888e-02 6.920e-03 1.145e-02 1.981e-03 3.124226e-01 9.984281e-04 3.995419e-03 -6.000000e+00 1.069377e-02 230.67 -2.00 3.76 -2.00 318.69 0.00e+00 4.761812e-04 2.019760e-04 4.710440e-04 -6.000000e+00 4.664736e-04 282.39 -2.00 20.00 -2.00 317.95 0.00e+00 2.148 0.000 302.00 328.00 3 3.9905e+00 2.7305e-03 2.7673e-02 -6.0000e+00 2.6779e-02 2.4618e-02 3.1094e-03 1.7616e-02 -6.0000e+00 2.9010e-02 6.1828e-03 2.0643e-03 8.6275e-03 -6.0000e+00 1.7228e-02 -9.6950e-03 1.0748e-03 2.4172e-03 -6.0000e+00 7.3511e-03 7.8714e-04 -9.8465e-05 5.6086e-05 2.4984e-05 -6.0000e+00 4.8036e-04 2.7802e-03 0.0000e+00 11 8 0 10 0 0 99.96 20.70 0.29 0.00278 0.00204 156 37 1 8 0 311.760 20.01 20.70 24.60 25.58 25.47 0.0 973.20 -3861 -4593 1816 -1166 -4105 -3376 -6829 -5090 -9145 -3585 -6488 -667 -5557 -857 -407 208 2883 835 776 -165 748 -1948 337 -217 972 -513 342 -531 -2603 344 -2824 1146 -502 -459 -5047 -3212 -4192 -1085 -1105 -315 -243 -967 674 -796 1062 -470 -113 -727 -1107 -612 818 1127 710 1556 751 1827 652 964 82 711 976 1683 2445 2185 1625 -100 -260 -1436 989 600 1105 1107 774 915 234 -252 -1787 -2165 -1960 -1059 -1826 -1256 -2381 -1572 -912 -401 307 365 784 430 430 -473 -658 -929 -474 -272 216 1024 549 237 -285 -961 -1319 -184 -912 -1087 -841 -778 117 792 847 528 639 165 -248 -473 -2 -361 136 174 -88 399 669 370 475 277 -426 641 181 367 174 -338 -447 -505 60 -117 54 392 286 -154 71 -410 -512 -210 -278 106 -66 -211 -165 -371 -311 -655 -256 -471 -47 -475 -82 -45 26 363 112 110 -25 113 -298 51 -36 169 -94 62 -92 -429 55 -499 216 -106 -100 -1073 -650 -936 -278 -344 -114 -89 -373 264 -320 418 -189 -44 -309 -466 -259 363 541 334 769 387 955 353 518 44 369 520 960 1520 1470 1112 -64 -155 -842 606 424 855 895 628 713 171 -181 -1170 -1348 -1277 -780 -1410 -1072 -2207 -1510 -930 -437 352 433 928 495 458 -463 -642 -877 -433 -276 244 1281 743 321 -363 -1118 -1432 -202 -1102 -1397 -1125 -1090 172 1235 1410 904 1064 258 -357 -636 -3 -499 201 275 -143 637 1034 553 673 375 -548 807 246 543 274 -552 -743 -871 109 -227 108 793 585 -311 137 -761 -918 SS 20250830T074448.9Z 9373.322788 149 1 48.78 2 61.60 111.83 134.44 75.02 0.00 1 0.00 1 0 17 1.547e-02 6.109e-03 4.895e-03 8.854e-04 3.025243e-01 4.457607e-04 3.857852e-03 -6.000000e+00 8.766823e-03 230.67 -2.00 3.76 -2.00 318.58 0.00e+00 5.978037e-04 8.700198e-05 2.333885e-04 -6.000000e+00 3.823992e-04 282.39 -2.00 20.00 -2.00 317.83 0.00e+00 2.092 0.000 302.00 328.00 3 2.5095e+00 1.2163e-03 2.6855e-02 -6.0000e+00 2.1954e-02 9.2493e-03 1.3837e-03 1.6973e-02 -6.0000e+00 2.3782e-02 9.4970e-03 9.1118e-04 8.3409e-03 -6.0000e+00 1.4123e-02 -1.0745e-02 4.7271e-04 2.3796e-03 -6.0000e+00 6.0268e-03 3.7353e-03 -1.8395e-05 2.5110e-05 2.4445e-05 -6.0000e+00 3.9377e-04 2.3182e-03 0.0000e+00 10 0 0 10 0 0 99.99 20.70 0.23 0.00232 0.00218 797 187 1 8 0 60.960 20.00 20.70 24.53 25.58 25.47 0.0 972.68 -4429 -350 -5575 -679 -6398 -872 -6190 -2269 -3651 -3427 -2123 -4548 -795 -3414 580 -2213 807 1 1153 1169 336 26 266 983 -580 1281 -1746 -355 -2158 208 -515 982 1037 -2173 -2939 -4318 -2404 -2653 -142 -882 -265 -1014 122 -398 280 235 -531 469 -875 540 331 1043 605 1198 251 1092 737 364 886 56 1497 1086 2353 2049 1036 73 -352 -1082 711 880 471 1035 146 1072 -47 81 -1054 -1599 -973 -1085 -1231 -1538 -2175 -1912 -658 -776 191 -54 656 482 747 372 -237 199 -98 -76 -14 1033 303 157 -302 -997 -947 -358 -732 -1178 -508 -932 73 302 725 378 399 -3 -293 -96 -176 3 128 258 -332 218 261 478 629 361 -154 597 520 172 348 -469 -228 -278 260 -3 12 507 170 -83 -216 -474 -571 -257 -21 -371 -40 -355 -44 -352 -142 -261 -257 -155 -352 -68 -351 67 -290 108 0 168 178 53 4 42 165 -106 239 -334 -63 -365 34 -92 190 220 -494 -626 -903 -539 -705 -45 -328 -108 -435 53 -162 113 104 -234 201 -374 229 150 508 289 600 131 580 402 199 513 33 875 631 1480 1394 719 47 -211 -693 479 622 368 842 119 838 -34 58 -689 -995 -630 -801 -946 -1319 -2013 -1843 -670 -851 220 -65 779 555 796 362 -231 186 -89 -76 -16 1288 411 212 -383 -1158 -1022 -393 -883 -1516 -677 -1306 106 472 1205 647 664 -5 -420 -128 -232 4 188 406 -540 347 404 712 889 489 -197 750 703 254 544 -763 -376 -476 470 -6 24 1019 346 -167 -416 -876 -1024 SS 20250830T074937.6Z 9373.326130 151 1 38.19 2 60.88 112.92 133.73 76.10 0.00 1 0.00 1 0 17 1.441e-02 6.641e-03 1.099e-03 2.671e-04 2.982150e-01 1.335784e-04 3.805136e-03 -6.000000e+00 8.166621e-03 230.67 -2.00 3.76 -2.00 317.86 0.00e+00 6.097825e-04 2.208280e-05 2.323256e-04 -6.000000e+00 3.562182e-04 282.39 -2.00 20.00 -2.00 317.13 0.00e+00 2.045 0.000 302.00 328.00 3 6.8315e-01 3.5849e-04 2.6315e-02 -6.0000e+00 2.0451e-02 1.0150e-02 4.0481e-04 1.6676e-02 -6.0000e+00 2.2154e-02 -2.5807e-03 2.5553e-04 8.1695e-03 -6.0000e+00 1.3156e-02 -4.5278e-03 1.3028e-04 2.3001e-03 -6.0000e+00 5.6142e-03 2.4491e-02 -1.3994e-05 7.3212e-06 2.1993e-05 -6.0000e+00 3.6681e-04 2.2933e-03 0.0000e+00 12 9 1 12 1 1 99.96 20.71 0.19 0.00229 0.00219 1247 380 2 8 0 29.990 20.00 20.71 24.50 25.58 25.47 0.0 972.74 -2460 -1695 -1926 -3591 -4826 -5438 -3842 -2751 -1620 -3387 -4271 -4251 -2767 -1620 3 -468 -40 715 945 1771 582 599 630 671 386 269 -811 -979 -1475 -894 -99 315 1168 -1867 -3516 -3914 -3544 -1884 -663 -541 -457 -72 103 -127 468 117 -186 -29 -674 42 749 745 1066 994 705 1186 879 657 527 298 969 1466 2064 2352 916 157 -561 -1123 684 728 556 737 348 826 126 -378 -1139 -2067 -1168 -1319 -1457 -1549 -2375 -1714 -831 -572 47 63 553 480 537 172 -574 -228 -73 -123 268 931 435 116 -115 -949 -915 -258 -790 -1113 -602 -851 45 500 744 481 429 103 -173 -8 -42 8 250 199 -145 180 482 399 743 326 -201 724 518 317 270 -425 -360 -174 67 15 16 460 120 -142 -240 -567 -582 -196 -148 -173 -306 -368 -399 -297 -240 -157 -351 -439 -451 -331 -224 0 -75 -7 124 171 330 112 114 122 139 85 62 -188 -214 -333 -198 -21 75 301 -513 -911 -987 -972 -600 -253 -242 -224 -37 54 -68 248 63 -98 -15 -344 22 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