File name: Pandora21s1_Bremen_20231103_L2Fit_fout2c10d20231020p1-8.txt File generation date: 20250430T234117.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c10p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v10d20231020.txt Level 1 file used: Pandora21s1_Bremen_20231103_L1_smca1c10d20231020p1-8.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: 20231103 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: 287 429 Nominal wavelengths inside fitting window [nm]: 305.1299 305.2716 305.4132 305.5548 305.6963 305.8379 305.9793 306.1208 306.2622 306.4035 306.5448 306.6861 306.8274 306.9686 307.1098 307.2510 307.3921 307.5332 307.6742 307.8153 307.9563 308.0972 308.2382 308.3791 308.5199 308.6608 308.8016 308.9424 309.0831 309.2239 309.3646 309.5053 309.6459 309.7865 309.9271 310.0677 310.2082 310.3487 310.4892 310.6297 310.7701 310.9106 311.0509 311.1913 311.3317 311.4720 311.6123 311.7525 311.8928 312.0330 312.1732 312.3134 312.4536 312.5937 312.7338 312.8739 313.0140 313.1540 313.2941 313.4341 313.5741 313.7140 313.8540 313.9939 314.1338 314.2737 314.4136 314.5534 314.6933 314.8331 314.9729 315.1127 315.2524 315.3922 315.5319 315.6716 315.8113 315.9510 316.0906 316.2303 316.3699 316.5095 316.6491 316.7886 316.9282 317.0677 317.2073 317.3468 317.4863 317.6257 317.7652 317.9046 318.0441 318.1835 318.3229 318.4623 318.6016 318.7410 318.8803 319.0196 319.1589 319.2982 319.4375 319.5768 319.7160 319.8553 319.9945 320.1337 320.2729 320.4121 320.5513 320.6904 320.8296 320.9687 321.1078 321.2469 321.3860 321.5251 321.6641 321.8032 321.9422 322.0812 322.2202 322.3592 322.4982 322.6372 322.7762 322.9151 323.0540 323.1930 323.3319 323.4708 323.6096 323.7485 323.8874 324.0262 324.1651 324.3039 324.4427 324.5815 324.7203 324.8591 324.9978 --------------------------------------------------------------------------------------- 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 20231103T115936.7Z 8707.499731 435 1 50.06 2 69.04 193.26 84.67 308.12 0.00 1 0.00 1 0 25 9.960e-02 9.858e-03 1.519e-01 9.280e-03 4.516052e-01 4.853349e-03 5.993980e-03 -6.000000e+00 5.880844e-02 222.05 -2.00 3.88 -2.00 319.60 0.00e+00 1.566080e-03 1.233350e-03 2.409132e-04 -6.000000e+00 2.398168e-03 272.57 -2.00 20.00 -2.00 319.32 0.00e+00 2.769 0.000 302.00 328.00 3 5.9115e+00 1.3230e-02 3.7418e-02 -6.0000e+00 1.4542e-01 1.4095e-01 1.5436e-02 2.5432e-02 -6.0000e+00 1.5857e-01 -1.3756e-02 1.3533e-02 1.3359e-02 -6.0000e+00 9.3143e-02 -3.6538e-03 7.3249e-03 4.1635e-03 -6.0000e+00 3.9371e-02 4.8391e-05 -1.3110e-03 2.9051e-04 5.3227e-05 -6.0000e+00 3.0468e-03 4.8772e-03 0.0000e+00 12 8 8 10 0 0 99.93 22.18 0.56 0.00488 -0.00497 14 3 1 5 0 3575.405 25.39 20.00 22.18 17.11 33.8 978.14 39994 14657 -17606 41586 13408 32214 900000 52026 -29763 577 -41442 16038 -12970 7808 3211 6734 -3549 -5001 -6503 28842 1620 4785 -5412 4983 -6317 -13474 17466 8126 7521 -7143 4694 -10125 453 4799 2823 3094 -1717 10535 -10016 -79 -1678 -3188 -3186 3980 2669 -764 7289 -415 3444 -3024 -1587 -3932 3097 3272 -4060 5920 -1842 -1523 1854 1307 -194 1999 1538 -101 26 1370 -2146 -1196 508 1780 1269 -63 552 -971 302 -1255 -2777 532 -1790 186 303 -685 -2051 -383 -297 447 -586 1184 -181 134 1142 -281 2625 -756 1422 882 -1320 275 -572 -121 -482 -628 -386 -1268 -166 -1069 -691 166 1323 315 1672 666 -241 -222 1274 -256 308 -1777 -1123 112 -684 93 363 431 -757 774 -873 236 399 144 663 -713 641 -691 498 -125 854 -544 207 17 -156 -424 900000 541 269 -432 577 226 468 900000 769 -980 15 -1674 437 -543 322 160 361 -225 -342 -474 1570 114 334 -437 390 -580 -1352 1292 636 593 -694 459 -1275 55 564 331 377 -249 1614 -2207 -18 -417 -843 -867 1022 700 -209 1847 -115 944 -933 -524 -1438 1132 1257 -1734 2355 -795 -646 749 537 -86 946 798 -56 14 708 -1127 -650 301 1149 874 -44 377 -632 178 -684 -1464 280 -1072 124 228 -568 -1830 -355 -292 461 -633 1269 -192 135 1058 -246 2170 -670 1356 948 -1615 360 -776 -159 -588 -709 -422 -1453 -199 -1358 -917 232 1955 506 2782 1127 -399 -348 1854 -367 445 -2732 -1801 183 -1116 146 553 630 -1073 1039 -1171 327 599 234 1129 -1273 1171 -1337 1001 -261 1807 -1171 438 34 -306 -802 900000 SS 20231103T122646.8Z 8707.518597 448 1 5.37 2 70.22 200.15 87.69 313.13 0.00 1 0.00 1 0 25 3.297e-02 5.940e-03 1.496e-02 1.440e-03 4.722009e-01 7.437731e-04 6.286671e-03 -6.000000e+00 1.932322e-02 222.05 -2.00 3.88 -2.00 318.85 0.00e+00 5.992690e-04 1.572254e-04 2.095562e-04 -6.000000e+00 7.937248e-04 272.57 -2.00 20.00 -2.00 318.58 0.00e+00 2.923 0.001 302.00 328.00 3 1.4999e+00 1.9941e-03 3.9211e-02 -6.0000e+00 4.7733e-02 3.9370e-02 2.2721e-03 2.6359e-02 -6.0000e+00 5.2015e-02 -1.7460e-02 1.7823e-03 1.3613e-02 -6.0000e+00 3.0688e-02 8.2003e-04 9.7004e-04 4.1335e-03 -6.0000e+00 1.3028e-02 3.5974e-03 -8.8964e-04 4.3144e-05 5.0815e-05 -6.0000e+00 9.9303e-04 5.4084e-03 0.0000e+00 12 1 1 12 1 1 99.73 22.19 0.18 0.00541 -0.00128 56 105 1 5 0 94.067 25.39 20.00 22.19 17.94 34.0 982.74 -6052 -13314 -720 -12071 1566 -18221 -4405 -18804 -1487 -10449 -7056 -5509 -6075 41 -5158 1555 -4022 768 -3294 -333 -288 -2236 1866 -4082 1102 -1622 367 -2572 1029 -2211 -269 672 -1787 -94 -2171 -356 -2071 -1294 -2387 -1187 -648 -1195 -185 -643 -23 -133 510 -902 1131 423 1278 1057 744 1005 704 1093 58 1110 491 1884 944 1499 865 116 928 491 991 1150 644 -519 37 -405 -388 -127 -221 807 367 602 -201 -239 -1341 -1323 -1436 -1071 -1065 -882 -440 -398 -184 192 536 539 1555 1225 900 946 543 -363 -584 -307 -409 267 338 -752 -870 -614 -542 -145 156 -86 -193 -215 148 374 703 739 370 79 -619 -743 -447 -294 -160 237 172 1048 1297 696 505 291 170 209 362 32 -299 -168 17 -437 -301 -111 -269 -29 900000 -161 -386 -20 -353 38 -551 -129 -670 -49 -397 -277 -244 -328 3 -366 116 -344 67 -316 -32 -28 -228 194 -488 133 -206 45 -313 121 -292 -40 104 -305 -16 -365 -62 -419 -313 -655 -367 -217 -421 -66 -234 -8 -49 188 -341 434 165 539 487 350 499 364 580 31 584 255 979 527 870 555 79 620 316 627 764 457 -396 30 -333 -308 -99 -156 540 236 401 -144 -188 -1210 -1256 -1399 -1102 -1122 -981 -506 -462 -209 205 552 540 1500 1241 972 1110 667 -475 -789 -415 -509 316 403 -910 -1080 -801 -718 -204 229 -133 -305 -345 236 561 1022 1081 533 120 -965 -1191 -709 -452 -246 347 250 1445 1824 1001 770 469 281 349 629 57 -548 -320 34 -834 -584 -207 -490 -52 900000 SS 20231103T123035.3Z 8707.521242 451 1 21.64 2 70.42 201.10 88.09 313.84 0.00 1 0.00 1 0 25 6.156e-02 5.919e-03 2.875e-02 1.946e-03 4.754155e-01 1.009039e-03 6.283661e-03 -6.000000e+00 3.608331e-02 222.05 -2.00 3.88 -2.00 319.43 0.00e+00 1.045049e-03 2.504530e-04 2.517390e-04 -6.000000e+00 1.482243e-03 272.57 -2.00 20.00 -2.00 319.15 0.00e+00 2.951 0.001 302.00 328.00 3 3.0795e+00 2.7454e-03 3.9603e-02 -6.0000e+00 8.9134e-02 5.1933e-02 3.1873e-03 2.6686e-02 -6.0000e+00 9.7131e-02 -1.3407e-02 2.7593e-03 1.3958e-02 -6.0000e+00 5.7305e-02 -2.5998e-03 1.4958e-03 4.3213e-03 -6.0000e+00 2.4328e-02 7.1161e-04 -8.8035e-04 5.9479e-05 5.3477e-05 -6.0000e+00 1.8544e-03 5.6691e-03 0.0000e+00 12 1 1 12 1 1 99.98 22.19 0.19 0.00567 -0.00095 54 25 1 5 0 393.395 25.39 20.00 22.19 18.13 34.0 984.24 23541 -33031 10678 -22247 -9955 -13773 -25337 -14805 -18790 6027 -27193 4103 -12177 355 -5012 -3208 -2449 -7663 1260 -4984 5927 -6852 2105 -8264 932 -1422 -1465 -1578 -99 -528 -4221 1154 -5123 2268 -840 -739 -2571 -883 -699 -2088 -491 -1815 607 -1865 768 -1360 543 730 216 1237 714 2494 517 1939 464 550 72 864 1082 1000 1422 1082 1072 -593 1733 11 1234 1082 1144 180 -314 -122 -688 -26 -622 787 -18 1226 180 -567 -631 -1773 -1239 -1149 -768 -797 -181 -214 78 355 807 1011 917 1122 771 784 42 -156 -663 -215 -594 27 607 -976 -779 -926 -253 -380 208 -146 -73 -21 199 341 688 731 256 130 -715 -508 -312 -443 -155 219 375 435 1642 444 758 134 195 295 247 -16 -251 -76 -60 -235 -526 -117 -167 105 900000 332 -827 185 -488 -187 -275 -614 -365 -522 142 -910 118 -483 15 -259 -182 -149 -522 83 -361 394 -524 157 -729 80 -128 -130 -136 -8 -49 -461 135 -682 283 -106 -98 -393 -158 -147 -503 -126 -493 166 -527 214 -391 154 211 65 390 245 911 205 800 201 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