File name: Pandora21s1_Bremen_20220115_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240903T104112.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20220115_L1_smca1c6d20211128p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20220115 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: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 20220115T101108.2Z 8050.424400 352 1 2.91 2 76.32 160.11 101.67 8.91 0.00 1 0.00 1 0 25 2.960e-01 1.454e-02 2.738e-01 1.370e-02 5.625524e-01 7.140429e-03 7.271700e-03 -6.000000e+00 1.732914e-01 221.40 -2.00 3.88 -2.00 319.78 0.00e+00 -4.709682e-04 1.992605e-03 3.561006e-04 -6.000000e+00 7.220589e-03 265.76 -2.00 20.00 -2.00 319.50 0.00e+00 4.133 0.002 302.00 328.00 3 3.1601e+00 1.9695e-02 5.1345e-02 -6.0000e+00 4.2712e-01 1.0872e-01 2.3542e-02 3.1531e-02 -6.0000e+00 4.6633e-01 -2.2976e-02 2.2438e-02 1.6715e-02 -6.0000e+00 2.7455e-01 -9.1664e-03 1.2025e-02 5.2665e-03 -6.0000e+00 1.1636e-01 1.9492e-04 -8.0602e-04 4.0905e-04 6.4555e-05 -6.0000e+00 8.9215e-03 4.8990e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.13 0.13 0.00490 -0.00116 1 7 1 5 0 1328.517 25.17 20.01 22.13 14.66 27.6 1039.00 900000 -82693 -49603 -98224 14081 900000 -83474 79438 -58123 117385 13684 -48081 60167 -66190 214088 -15555 18280 -22751 44346 -19824 32050 10933 -2155 -4494 -16329 23878 -18256 28346 -43638 31986 2606 -20796 5896 1810 7996 17190 9905 -7373 1654 7187 -6044 -11534 5489 2202 -9591 -1472 2983 10502 -4728 11924 5105 10018 2142 -952 1614 4871 136 -998 2043 -44 2726 2851 -3007 433 3452 3159 -5542 3513 -1496 2142 687 2643 -353 -1546 -215 -880 -1206 -526 3589 855 -2228 -2225 -1579 -839 -2629 -2238 1140 -1089 -1690 1665 2197 488 2408 1008 -844 327 3302 -369 -44 -1920 -720 -823 305 -167 -1325 -2402 823 282 -266 1009 72 275 -147 908 605 1467 195 -1785 -116 -130 371 -57 -1270 -668 1023 898 758 914 -172 813 -1641 315 -57 754 -249 -331 751 932 112 -1148 -547 77 -256 900000 -1671 -804 -2391 188 900000 -1811 1061 -1284 1567 189 -1241 803 -2846 2859 -595 579 -1121 1300 -1071 1134 473 -109 -252 -1104 1198 -1359 1371 -3951 1527 180 -2039 512 174 726 1434 947 -955 236 1151 -1226 -2644 1131 479 -2341 -339 668 2238 -1191 2722 1336 2750 684 -335 586 1792 54 -399 784 -17 1042 1159 -1407 214 1747 1595 -2946 1748 -824 1264 445 1764 -242 -1038 -135 -513 -658 -281 1959 533 -1600 -1763 -1341 -746 -2481 -2206 1140 -1134 -1774 1673 2108 451 2104 888 -794 333 3625 -454 -57 -2576 -932 -1004 349 -188 -1555 -2965 1030 369 -367 1470 112 445 -241 1449 934 2177 288 -2717 -180 -208 600 -91 -2002 -1026 1513 1295 1068 1289 -257 1291 -2810 556 -104 1409 -485 -668 1540 1931 235 -2389 -1103 150 -485 SS 20220115T101529.3Z 8050.427423 354 1 50.06 2 76.11 161.13 101.56 9.87 0.00 1 0.00 1 0 20 2.542e-01 6.991e-03 2.156e-01 6.345e-03 5.474995e-01 3.370904e-03 6.979043e-03 -6.000000e+00 1.487594e-01 221.40 -2.00 3.88 -2.00 320.49 0.00e+00 1.313371e-04 1.104591e-03 4.447651e-04 -6.000000e+00 6.278777e-03 265.76 -2.00 20.00 -2.00 320.19 0.00e+00 4.072 0.001 302.00 328.00 3 3.9851e+00 9.6196e-03 5.0530e-02 -6.0000e+00 3.6658e-01 1.1454e-01 1.2023e-02 3.1130e-02 -6.0000e+00 4.0009e-01 -1.6902e-02 1.2659e-02 1.6964e-02 -6.0000e+00 2.3572e-01 -6.0172e-03 6.6375e-03 5.5478e-03 -6.0000e+00 9.9442e-02 9.0998e-05 -6.1200e-04 2.0107e-04 7.1721e-05 -6.0000e+00 7.7035e-03 6.7710e-03 0.0000e+00 11 8 0 10 0 0 96.20 22.13 0.41 0.00677 0.00217 27 5 1 5 0 1853.871 25.17 20.00 22.13 14.81 27.6 1039.47 -17668 73413 -51022 900000 -123842 900000 -1263 -62847 -56095 61549 211972 -53406 -20041 -26934 19714 13005 6895 6391 -651 7670 6186 23885 -2709 9694 5335 9021 637 -99 -3761 2215 -21032 -6185 19301 -2772 13876 -4200 -13308 7437 -8743 -4151 -5195 -1845 1169 1263 -3588 1721 -1168 918 -2756 -2135 3629 4507 3754 466 2455 -2158 2062 1254 805 1803 -2838 897 366 2446 1468 3222 -1640 289 1679 -924 692 -1213 1092 -80 -116 -758 -204 -645 -1794 -1428 946 667 -2066 -466 -1314 -206 -516 686 302 26 1217 1320 710 548 1630 -303 548 198 -77 -385 -370 -181 -652 1139 -729 -1656 -1129 -378 -220 54 174 125 148 -811 524 653 317 -287 539 -321 -635 -153 -284 381 245 502 371 1298 450 113 -263 202 -153 55 156 -64 152 -5 -268 -200 337 -646 163 -126 454 -601 900000 -2627 900000 -9 -924 -872 381 1311 -1032 -340 -589 341 277 172 174 -20 232 196 656 -98 340 211 365 28 -4 -168 97 -1276 -377 1048 -197 840 -300 -1112 596 -980 -527 -752 -279 180 199 -601 278 -197 154 -495 -401 699 949 869 120 657 -631 596 367 233 509 -855 280 127 918 586 1253 -651 114 699 -443 359 -677 599 -42 -58 -346 -85 -266 -798 -721 538 428 -1493 -353 -1065 -175 -463 629 279 24 1028 1040 535 412 1295 -274 557 227 -96 -489 -452 -203 -683 1150 -783 -1899 -1352 -475 -295 79 274 208 248 -1335 810 961 461 -429 837 -524 -1054 -248 -447 579 360 707 506 1759 658 181 -461 373 -295 111 330 -142 347 -11 -626 -459 741 -1365 330 SS 20220115T102441.3Z 8050.433811 356 1 50.01 2 75.68 163.30 101.30 11.89 0.00 1 0.00 1 0 25 8.650e-02 4.235e-03 3.843e-02 1.339e-03 5.371528e-01 6.990575e-04 6.870975e-03 -6.000000e+00 5.036677e-02 221.40 -2.00 3.88 -2.00 320.34 0.00e+00 1.758545e-03 2.222065e-04 4.115066e-04 -6.000000e+00 2.071548e-03 265.76 -2.00 20.00 -2.00 320.04 0.00e+00 3.960 0.001 302.00 328.00 3 1.6067e+00 1.9847e-03 4.9255e-02 -6.0000e+00 1.2423e-01 6.6143e-02 2.4438e-03 3.0410e-02 -6.0000e+00 1.3553e-01 -2.0816e-02 2.5104e-03 1.6437e-02 -6.0000e+00 8.0041e-02 -2.7656e-03 1.3246e-03 5.3176e-03 -6.0000e+00 3.3718e-02 1.1368e-03 -7.6378e-04 4.1693e-05 6.6838e-05 -6.0000e+00 2.5919e-03 7.2543e-03 0.0000e+00 10 0 0 10 0 0 99.62 22.13 0.17 0.00725 0.00151 298 58 1 5 0 167.798 25.17 20.00 22.13 14.96 27.6 1040.90 -17786 -33761 -38303 -37260 -44236 -11799 -30277 2169 -43311 3883 -15389 12825 -11609 -10970 -1039 -8829 -2027 -3484 504 -2238 1684 -5509 -2173 -2192 -3869 2468 -3806 299 -3091 4750 -3143 3118 -234 -2323 -1414 133 -639 193 1275 -1730 -1534 -2112 -988 -1908 -1231 -543 -1529 1262 -79 2162 -479 1491 964 619 566 886 554 -692 1134 196 1393 706 1235 700 600 872 39 686 396 780 33 582 -337 -136 113 315 -378 27 823 -503 -301 -1290 -1304 -1463 -964 -639 -506 -61 -67 489 513 885 859 1102 686 751 816 518 -176 -272 -151 -512 495 360 -599 -670 -560 -545 -140 88 -265 -164 -257 67 32 598 565 438 27 -540 -480 -185 -214 -99 197 29 748 869 359 240 6 -25 12 237 -184 -104 64 75 -258 -113 -102 -104 154 -155 -370 -469 -445 -533 -109 -331 21 -687 42 -213 149 -209 -227 -24 -259 -63 -112 17 -80 60 -214 -85 -92 -179 113 -189 14 -148 219 -177 192 -17 -184 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