File name: Pandora21s1_Bremen_20220708_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T172155.6Z 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_20220708_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: 20220708 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 20220708T070503.1Z 8224.295174 204 1 49.12 2 58.03 94.64 136.76 16.81 0.00 1 0.00 1 0 25 1.059e-02 4.923e-03 6.171e-03 1.457e-03 2.620179e-01 7.721640e-04 3.467352e-03 -6.000000e+00 6.461862e-03 233.96 -2.00 3.88 -2.00 318.08 0.00e+00 -2.276495e-05 1.194772e-04 7.478495e-05 -6.000000e+00 2.535209e-04 282.07 -2.00 20.00 -2.00 317.75 0.00e+00 1.882 0.000 302.00 328.00 3 3.5222e+00 2.0781e-03 2.4445e-02 -6.0000e+00 1.6411e-02 9.0179e-03 2.3136e-03 1.5367e-02 -6.0000e+00 1.7739e-02 2.3520e-02 1.4730e-03 7.5365e-03 -6.0000e+00 1.0377e-02 -1.4088e-02 7.4082e-04 2.1249e-03 -6.0000e+00 4.2639e-03 1.7268e-03 -1.7262e-04 4.6520e-05 2.6238e-05 -6.0000e+00 3.1818e-04 2.2764e-03 0.0000e+00 10 0 0 10 0 0 100.00 22.22 0.06 0.00228 0.00098 634 124 1 5 0 76.498 25.39 20.00 22.22 24.03 29.7 1027.63 -1115 -265 -1782 -140 -2060 3834 -493 5259 1863 865 1073 4089 996 14 529 -1495 234 -946 120 -883 922 -902 561 260 -1465 214 -1738 338 -134 2500 1967 2958 402 -260 -1206 -729 728 -108 402 -1056 -970 -1323 -1407 -1197 -1198 -1269 -1320 -928 -990 683 454 684 759 651 882 618 485 378 735 711 1510 1238 1238 512 -329 -108 -9 691 990 790 -92 222 -282 -193 119 81 365 481 859 -449 50 -1083 -1296 -1026 -1074 -833 -355 -216 -162 51 120 475 779 1109 1183 816 843 352 -328 -625 -108 -683 398 316 -536 -435 -472 -264 -73 89 -148 -141 -12 68 73 466 535 361 111 -483 -581 -337 -193 -221 237 150 763 814 559 484 182 69 62 355 -10 -40 4 16 -251 -222 -47 -290 -28 -87 -22 -156 -12 -162 275 -38 428 172 85 107 408 112 2 76 -239 39 -166 22 -166 175 -175 110 54 -323 48 -400 73 -28 495 406 651 97 -65 -297 -176 184 -32 138 -426 -431 -623 -685 -590 -592 -627 -646 -443 -467 318 220 352 414 374 523 377 302 236 453 437 940 818 878 388 -255 -79 -6 458 679 598 -77 195 -251 -168 98 61 251 312 564 -325 40 -966 -1242 -1033 -1145 -943 -423 -265 -201 62 137 504 762 1034 1127 841 954 438 -436 -844 -140 -832 455 362 -654 -561 -638 -371 -106 136 -239 -234 -20 105 106 633 710 490 158 -735 -917 -534 -299 -333 342 208 1005 1053 750 688 273 107 98 578 -17 -72 7 30 -480 -422 -87 -521 -50 SS 20220708T103021.5Z 8224.437749 334 1 49.81 2 32.67 153.92 116.66 73.20 0.00 1 0.00 1 0 17 1.281e-02 6.964e-03 1.237e-02 5.666e-03 1.786181e-01 3.018616e-03 2.393248e-03 -6.000000e+00 7.815901e-03 233.96 -2.00 3.88 -2.00 316.51 0.00e+00 -1.721847e-05 3.163047e-04 3.044267e-05 -6.000000e+00 3.067008e-04 282.09 -2.00 20.00 -2.00 316.18 0.00e+00 1.187 0.000 302.00 328.00 3 6.1491e+00 7.9705e-03 1.5949e-02 -6.0000e+00 1.9849e-02 4.8470e-02 8.8213e-03 1.0429e-02 -6.0000e+00 2.1458e-02 6.8618e-03 5.1148e-03 5.0850e-03 -6.0000e+00 1.2552e-02 -4.5590e-03 2.3386e-03 1.4118e-03 -6.0000e+00 5.1562e-03 2.8314e-04 -5.1729e-04 1.7746e-04 1.8842e-05 -6.0000e+00 3.8496e-04 3.8496e-03 0.0000e+00 11 8 0 10 0 0 99.98 22.27 0.88 0.00385 -0.00004 32 6 2 5 0 1556.278 25.39 20.00 22.27 24.91 30.0 1034.70 3953 -3928 2002 -770 267 -1020 2805 -501 -5209 1379 -3227 2363 -4277 4243 -1236 1046 -1482 -37 696 -1741 -697 -577 2013 -1234 1794 -997 1400 -444 85 1444 -1077 -919 183 1812 -1619 465 -997 1448 2323 -797 -346 -1402 295 -685 -90 -702 12 -729 1198 662 -809 2001 -667 1201 296 1306 -108 1057 167 127 928 -155 1482 285 551 -1477 226 -768 1619 466 -294 452 -989 864 -874 593 -1207 -78 -1182 43 -723 -2644 -1329 -698 -864 -332 -215 -51 899 -625 686 783 -554 1174 291 505 754 1004 -621 526 -32 -522 -87 -121 -789 -1358 -320 256 733 -72 530 279 518 -25 -198 366 -1037 209 -180 -110 -422 322 609 -703 183 -565 873 207 386 480 -74 -87 -212 318 -121 519 -109 154 -253 -86 -347 191 -389 700 -805 392 -147 46 -168 460 -93 -1109 289 -704 494 -1018 1032 -351 313 -471 -12 228 -599 -242 -200 688 -451 667 -392 535 -165 29 473 -366 -328 68 679 -604 166 -381 617 1151 -468 -221 -949 201 -477 -62 -484 8 -477 749 411 -522 1321 -474 875 224 995 -84 819 129 98 724 -128 1291 263 509 -1311 183 -596 1263 402 -279 448 -1006 846 -826 508 -954 -57 -871 34 -631 -2564 -1359 -745 -975 -398 -271 -67 1177 -812 833 875 -574 1129 285 527 856 1238 -824 696 -41 -628 -99 -138 -963 -1770 -431 357 1056 -109 832 446 806 -37 -272 466 -1300 265 -241 -157 -628 481 892 -1011 250 -741 1078 251 478 625 -101 -122 -302 461 -183 822 -180 259 -431 -146 -578 307 -615 SS 20220708T103506.2Z 8224.441044 337 1 3.24 2 32.37 155.88 116.02 74.22 0.00 1 0.00 1 0 25 7.776e-03 6.242e-03 4.245e-03 2.991e-03 1.683502e-01 1.625772e-03 2.275504e-03 -6.000000e+00 4.746625e-03 233.96 -2.00 3.88 -2.00 314.76 0.00e+00 2.656090e-05 1.194775e-04 1.657494e-05 -6.000000e+00 1.862338e-04 282.09 -2.00 20.00 -2.00 314.50 0.00e+00 1.183 0.000 302.00 328.00 3 4.2994e+00 4.2308e-03 1.5484e-02 -6.0000e+00 1.2055e-02 1.8586e-02 4.6580e-03 9.8161e-03 -6.0000e+00 1.3031e-02 2.5383e-03 2.6475e-03 4.7772e-03 -6.0000e+00 7.6227e-03 1.3114e-04 1.1306e-03 1.3160e-03 -6.0000e+00 3.1319e-03 1.8722e-03 -1.8505e-04 9.1606e-05 1.9766e-05 -6.0000e+00 2.3374e-04 2.6944e-03 0.0000e+00 12 1 1 12 1 1 99.75 22.27 0.32 0.00269 0.00130 4 16 1 5 0 611.950 25.39 19.99 22.27 25.35 30.1 1036.46 -1239 -1514 -866 -2933 -892 2012 1559 956 -732 893 -186 859 139 656 -439 -58 -1051 -878 136 632 361 742 2079 586 804 302 101 -194 866 965 1122 1161 745 156 -1077 132 -1131 -209 -641 -1165 -903 -1007 -540 -946 -1120 -855 -1186 -610 88 728 383 511 1099 1048 579 536 398 648 243 671 718 1478 714 127 496 167 -462 327 1226 92 101 -194 66 -699 -98 62 -68 279 232 -10 -488 -1202 -1714 -1660 -968 -759 -632 -359 101 -111 141 43 821 733 818 1022 763 980 -430 263 -344 -884 228 620 -360 -412 -424 -809 -154 461 116 -157 -459 42 -277 577 816 483 -64 -97 -659 -136 -271 -154 246 291 891 974 541 422 386 239 345 603 -265 -336 -211 120 -245 -229 -448 -413 -132 -429 -555 -318 -1046 -291 615 490 325 -270 337 -70 325 56 282 -204 -28 -530 -450 70 332 193 395 1105 322 455 175 58 -108 459 497 582 623 415 89 -600 72 -644 -129 -443 -885 -726 -835 -453 -801 -948 -719 -987 -495 70 570 305 420 929 909 512 479 359 585 219 600 650 1378 696 128 498 162 -428 292 1109 89 103 -204 70 -734 -99 60 -61 241 200 -9 -473 -1234 -1836 -1832 -1101 -896 -772 -448 127 -137 168 49 879 757 850 1104 870 1176 -539 330 -423 -1047 260 709 -430 -510 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