File name: Pandora21s1_Bremen_20240529_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20240830T170400.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 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_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20240529_L1_smca1c7d20231020p1-8.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: 20240529 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 20240529T073457.0Z 8915.315938 260 1 49.22 2 53.05 103.33 82.97 223.47 0.00 1 0.00 1 0 25 2.522e-02 7.011e-03 2.185e-02 4.915e-03 2.887481e-01 2.556103e-03 3.777668e-03 -6.000000e+00 1.508410e-02 232.29 -2.00 3.88 -2.00 318.13 0.00e+00 2.806394e-04 4.113659e-04 8.478535e-05 -6.000000e+00 6.035061e-04 277.98 -2.00 20.00 -2.00 317.78 0.00e+00 1.659 0.000 302.00 328.00 3 6.2696e+00 6.8679e-03 2.3779e-02 -6.0000e+00 3.8125e-02 6.4832e-02 7.7022e-03 1.6644e-02 -6.0000e+00 4.1484e-02 -2.0066e-03 4.9205e-03 8.1769e-03 -6.0000e+00 2.4303e-02 -2.4724e-03 2.4730e-03 2.2765e-03 -6.0000e+00 9.8222e-03 1.2870e-04 -7.1592e-04 1.5559e-04 2.8053e-05 -6.0000e+00 7.5975e-04 5.7228e-04 0.0000e+00 11 8 0 10 0 0 99.95 22.43 0.43 0.00057 -0.00481 21 4 1 5 0 2343.508 25.47 20.00 22.43 20.92 35.7 1005.65 7623 -4845 8940 -1557 1691 8152 -8824 7483 -5044 4880 -7706 5377 -4798 -8342 826 -3083 4109 -2532 4340 -3981 2356 -2588 1240 1465 -821 2442 -4374 2841 -3439 3396 -1379 1425 -882 1368 -2193 -4459 -774 -5296 1144 -675 263 -185 586 -235 -247 361 -1124 1393 -598 1742 -1489 2783 271 2394 324 132 830 316 1284 -476 322 435 1770 345 783 -223 -628 206 477 1111 -1415 1165 -720 913 -1346 379 -1052 -1157 -624 -1358 -550 -1957 -460 -1049 -53 153 588 368 -167 931 -235 0 -1170 -9 -117 1176 674 206 504 -704 -294 -1390 267 -1344 -691 -675 198 406 435 522 433 555 -122 366 -226 -231 -395 -692 -347 -774 63 164 810 249 68 19 603 125 137 476 -39 439 -442 486 39 358 -270 291 151 -255 -548 -481 -39 531 -403 645 -115 114 519 -716 579 -474 429 -778 517 -577 -1189 121 -503 656 -449 748 -766 430 -501 241 300 -180 526 -976 561 -699 663 -304 331 -220 329 -530 -1143 -217 -1827 434 -292 120 -88 282 -114 -120 174 -537 641 -281 826 -774 1478 155 1398 198 83 518 197 782 -298 211 306 1311 266 582 -156 -425 142 358 910 -1258 1029 -635 754 -1047 264 -695 -768 -446 -1089 -483 -1879 -460 -1111 -59 180 715 454 -203 1071 -254 0 -1116 -8 -120 1310 827 272 679 -930 -362 -1626 303 -1620 -878 -898 272 581 655 826 708 902 -191 535 -312 -308 -534 -982 -519 -1207 99 251 1199 356 94 25 768 164 190 697 -59 683 -710 808 68 645 -500 542 280 -465 -967 -823 -66 SS 20240529T085115.8Z 8915.368932 307 1 21.33 2 42.52 122.70 91.34 238.83 0.00 1 0.00 1 0 17 1.283e-02 6.770e-03 9.665e-03 3.804e-03 2.482694e-01 1.989790e-03 3.248282e-03 -6.000000e+00 7.672907e-03 232.29 -2.00 3.88 -2.00 316.84 0.00e+00 4.334951e-04 2.322933e-04 5.203115e-05 -6.000000e+00 3.069019e-04 277.98 -2.00 20.00 -2.00 316.50 0.00e+00 1.355 0.000 302.00 328.00 3 6.0658e+00 5.2578e-03 1.9898e-02 -6.0000e+00 1.9394e-02 6.2287e-02 5.8664e-03 1.4188e-02 -6.0000e+00 2.1101e-02 -1.2269e-02 3.4418e-03 6.9397e-03 -6.0000e+00 1.2361e-02 3.8510e-03 1.6033e-03 1.9105e-03 -6.0000e+00 4.9972e-03 2.2821e-04 -1.9019e-04 1.1812e-04 2.4109e-05 -6.0000e+00 3.8637e-04 -1.0894e-03 0.0000e+00 12 9 1 12 1 1 99.66 22.46 0.36 -0.00109 -0.00252 5 3 1 5 0 3553.026 25.58 20.00 22.46 22.11 36.0 1012.46 3176 -6297 180 214 1319 1552 -453 -5092 -2774 -1678 -4218 -1176 -2763 -9 -2125 -1829 1166 2257 294 -654 1111 2278 382 1300 221 2718 -1474 1333 -1066 1556 -1557 1236 -348 1000 -2467 -819 -1282 -2076 305 -1730 -113 -124 122 521 166 392 -713 -1026 602 -103 615 562 1060 301 879 1461 302 464 -428 1027 1203 625 1095 196 1005 -465 -365 -74 127 1013 524 150 270 -6 -872 -434 -734 -1772 -1852 -1225 -1451 -1243 -1291 -634 -180 -672 202 712 348 748 -70 -257 -340 235 183 940 553 533 578 197 -1235 -1051 -551 -1470 -112 -662 -528 387 857 277 664 252 279 -915 -268 16 -908 -273 222 80 52 548 823 646 168 -334 789 -280 544 370 -388 211 247 168 297 434 115 -351 18 -70 -839 -134 -547 447 -1018 27 30 167 197 -63 -821 -468 -286 -743 -215 -573 -2 -545 -496 319 633 87 -199 334 682 120 425 76 918 -501 419 -330 478 -522 431 -128 357 -880 -298 -523 -987 163 -1032 -70 -79 79 336 107 250 -449 -637 367 -65 402 386 757 223 660 1108 232 353 -325 780 952 526 966 177 873 -385 -290 -59 110 941 513 149 264 -6 -774 -354 -566 -1375 -1530 -1100 -1411 -1281 -1387 -707 -210 -823 253 900 435 896 -80 -273 -344 238 197 1078 684 695 765 255 -1535 -1243 -644 -1796 -142 -874 -719 540 1238 417 1018 384 410 -1287 -357 20 -1191 -370 314 117 77 793 1164 886 223 -429 984 -359 723 513 -555 306 364 255 467 701 189 -585 30 -114 -1343 -208 -852 SS 20240529T093330.7Z 8915.398272 329 1 48.88 2 37.60 135.93 96.65 246.93 0.00 1 0.00 1 0 17 1.658e-02 7.438e-03 1.365e-02 4.802e-03 2.370277e-01 2.501903e-03 3.098704e-03 -6.000000e+00 9.920955e-03 232.29 -2.00 3.88 -2.00 317.27 0.00e+00 2.470105e-04 3.195716e-04 5.346358e-05 -6.000000e+00 3.967805e-04 277.99 -2.00 20.00 -2.00 316.91 0.00e+00 1.261 0.000 302.00 328.00 3 6.7302e+00 6.6430e-03 1.8796e-02 -6.0000e+00 2.5076e-02 7.1303e-02 7.4227e-03 1.3556e-02 -6.0000e+00 2.7282e-02 -1.0598e-02 4.4183e-03 6.6361e-03 -6.0000e+00 1.5983e-02 1.2221e-03 2.0929e-03 1.8334e-03 -6.0000e+00 6.4617e-03 1.3090e-04 -2.6187e-04 1.5133e-04 2.2992e-05 -6.0000e+00 4.9952e-04 -1.6546e-03 0.0000e+00 11 8 0 10 0 0 98.65 22.47 0.23 -0.00165 -0.00362 16 3 1 5 0 3054.421 25.58 20.00 22.47 22.24 35.9 1011.63 -1276 291 -1537 -5677 777 -9840 -2915 3945 429 1087 -2137 -1057 -564 2499 1645 -5043 3840 -1542 1288 -1789 4095 1406 -146 3406 744 -880 -2433 1298 809 3802 700 2906 -1562 -1658 -553 -3976 -417 -1804 -2316 -1091 482 -279 -196 -180 -5 -330 -1527 -630 -982 1286 920 1202 798 1371 774 -240 396 -652 729 8 2221 1648 1290 -33 130 -452 522 -93 40 131 247 718 77 1005 -890 -1664 220 -1866 -500 -1455 0 -1675 -955 -614 -607 -328 610 877 1141 236 102 -82 -1206 103 78 462 679 259 -50 -261 -1050 -1100 -175 -880 -835 -524 -249 -77 755 677 -80 903 -387 812 -407 -945 -981 -531 -498 -97 687 41 731 -139 864 139 386 65 280 -243 -100 724 41 570 -25 289 848 470 -66 -707 -249 -568 -930 -166 39 -207 -733 87 -1224 -368 516 62 159 -326 -170 -101 490 359 -1248 905 -396 332 -487 1058 375 -41 968 226 -274 -742 360 216 999 201 875 -511 -532 -170 -1304 -149 -767 -1150 -595 275 -165 -118 -108 -3 -196 -892 -357 -553 727 551 758 529 935 543 -173 284 -468 512 6 1634 1303 1084 -28 108 -352 384 -70 33 117 233 688 72 898 -748 -1280 155 -1333 -379 -1231 0 -1674 -997 -672 -705 -401 770 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