File name: Pandora69s1_NewBrunswickNJ_20210922_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T190536.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c23p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 69 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20210922_L1_smca1c23d20210421p1-8.txt Full location name: Rutgers NJDEP (USEPA AQS ID 34-023-0011) Short location name: NewBrunswickNJ Country of location: USA Location latitude [deg]: 40.4622 Location longitude [deg]: -74.4294 Location altitude [m]: 19 Local noon date: 20210922 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: based on s13, field cal for NewBrunswick, revisited HCHO First and last pixel inside fitting window: 259 400 Nominal wavelengths inside fitting window [nm]: 305.1248 305.2657 305.4066 305.5475 305.6883 305.8292 305.9700 306.1109 306.2517 306.3925 306.5333 306.6741 306.8148 306.9556 307.0963 307.2371 307.3778 307.5185 307.6592 307.7999 307.9406 308.0812 308.2219 308.3625 308.5032 308.6438 308.7844 308.9250 309.0656 309.2062 309.3467 309.4873 309.6278 309.7683 309.9089 310.0494 310.1898 310.3303 310.4708 310.6113 310.7517 310.8921 311.0326 311.1730 311.3134 311.4537 311.5941 311.7345 311.8748 312.0152 312.1555 312.2958 312.4361 312.5764 312.7167 312.8570 312.9972 313.1375 313.2777 313.4179 313.5581 313.6983 313.8385 313.9787 314.1189 314.2590 314.3991 314.5393 314.6794 314.8195 314.9596 315.0997 315.2397 315.3798 315.5198 315.6599 315.7999 315.9399 316.0799 316.2199 316.3598 316.4998 316.6397 316.7797 316.9196 317.0595 317.1994 317.3393 317.4792 317.6190 317.7589 317.8987 318.0386 318.1784 318.3182 318.4580 318.5978 318.7375 318.8773 319.0170 319.1568 319.2965 319.4362 319.5759 319.7156 319.8552 319.9949 320.1345 320.2742 320.4138 320.5534 320.6930 320.8326 320.9722 321.1117 321.2513 321.3908 321.5303 321.6698 321.8093 321.9488 322.0883 322.2278 322.3672 322.5067 322.6461 322.7855 322.9249 323.0643 323.2037 323.3430 323.4824 323.6217 323.7611 323.9004 324.0397 324.1790 324.3183 324.4575 324.5968 324.7360 324.8753 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20210922T122750.5Z 7935.519335 272 1 10.85 2 71.63 106.30 93.59 276.93 0.00 1 0.00 1 0 25 2.680e-02 5.909e-03 2.281e-02 2.642e-03 3.909243e-01 1.364259e-03 4.625568e-03 -6.000000e+00 1.568601e-02 228.51 -2.00 3.50 -2.00 318.91 0.00e+00 9.147241e-04 2.778901e-04 1.471460e-04 -6.000000e+00 6.246967e-04 287.37 -2.00 20.00 -2.00 318.61 0.00e+00 3.132 0.001 302.00 328.00 3 2.2244e+00 3.6989e-03 3.7278e-02 -6.0000e+00 3.9335e-02 2.3963e-02 4.1851e-03 2.0291e-02 -6.0000e+00 4.2723e-02 -1.1491e-02 3.1636e-03 1.0209e-02 -6.0000e+00 2.5095e-02 2.9642e-04 1.7011e-03 3.0174e-03 -6.0000e+00 1.0564e-02 1.5737e-03 -3.7320e-04 7.9554e-05 3.4269e-05 -6.0000e+00 7.5769e-04 2.2779e-03 -5.6132e-05 12 1 1 12 1 1 99.97 22.83 0.23 0.00228 -0.00053 19 19 1 5 0 533.550 26.00 19.99 22.83 31.22 12.9 1022.45 -1992 -6313 -6060 -7032 6135 -13212 -715 -8728 -4350 -11560 -9948 1380 -11534 -856 -4915 -1593 975 3369 283 1622 -219 -3395 -97 -1717 535 -2550 -2725 -878 381 1019 -1841 1003 -1075 -2404 -2000 -1347 -3083 177 -491 -3218 -255 -619 -168 -334 814 -539 557 797 -1743 2061 444 1448 824 1087 614 241 -234 85 1092 364 1656 806 1823 1173 -269 729 123 376 1172 499 -35 315 486 466 339 948 -247 39 -480 -804 -968 -1989 -1769 -1136 -593 -775 -55 309 107 125 199 644 338 1666 210 334 323 177 -555 -233 -141 -580 169 -185 -1231 -1145 -446 -612 262 216 -2 -44 -70 -68 381 921 455 264 -202 -573 -165 -49 157 9 1008 14 1307 1216 144 243 -220 7 -133 229 63 -116 257 -179 -311 -161 -443 -221 -66 -234 -227 -245 177 -468 -25 -363 -191 -563 -490 68 -756 -60 -412 -143 91 326 30 174 -24 -388 -11 -218 70 -356 -376 -112 47 134 -276 161 -191 -432 -342 -240 -628 41 -136 -1032 -85 -216 -60 -121 294 -197 201 288 -652 782 184 635 385 534 311 126 -124 45 558 189 894 473 1148 776 -176 452 75 235 794 374 -28 254 385 352 239 613 -154 24 -331 -619 -820 -1829 -1701 -1137 -626 -854 -63 354 122 136 204 623 317 1584 217 377 398 233 -748 -305 -176 -684 195 -223 -1568 -1508 -607 -869 388 338 -3 -71 -110 -104 548 1294 653 393 -316 -917 -263 -78 241 13 1447 20 1798 1736 220 389 -366 12 -232 413 119 -223 501 -353 -608 -307 -826 -402 SS 20210922T123250.2Z 7935.522804 275 1 49.67 2 70.72 107.20 94.49 277.73 0.00 1 0.00 1 0 25 2.717e-02 5.246e-03 9.616e-03 1.007e-03 3.764083e-01 5.204965e-04 4.449078e-03 -6.000000e+00 1.590488e-02 228.51 -2.00 3.50 -2.00 319.27 0.00e+00 6.432793e-04 1.158741e-04 1.531522e-04 -6.000000e+00 6.334219e-04 287.37 -2.00 20.00 -2.00 318.96 0.00e+00 2.994 0.000 302.00 328.00 3 1.4802e+00 1.4228e-03 3.5734e-02 -6.0000e+00 3.9884e-02 1.8298e-02 1.6220e-03 1.9596e-02 -6.0000e+00 4.3319e-02 -2.6383e-03 1.2851e-03 9.9345e-03 -6.0000e+00 2.5445e-02 -5.8587e-03 6.9143e-04 2.9697e-03 -6.0000e+00 1.0712e-02 3.8654e-03 -3.4204e-04 3.1032e-05 3.4545e-05 -6.0000e+00 7.6828e-04 2.4176e-03 -5.8846e-05 11 1 0 11 8 0 99.98 22.83 0.20 0.00242 -0.00015 276 57 1 5 0 179.920 26.00 20.01 22.83 31.31 12.9 1023.49 -4413 -10285 -8067 -9048 -9726 -7234 -11223 -4937 -11508 -2291 -10673 -4949 -5279 -4631 -1008 -1404 -140 -2550 1152 -1452 919 1483 191 -413 -861 -632 -2316 -917 -2935 1228 -614 723 -157 -1634 -2219 -2286 -1651 -2049 -432 -1749 -904 -943 -325 -487 19 -475 -659 -278 -744 973 387 680 1559 1018 788 1087 840 251 720 788 1289 1419 1559 955 401 862 138 909 655 348 -108 259 210 80 7 70 -4 -148 61 -1178 -870 -1851 -1716 -948 -885 -705 -71 358 292 409 646 480 623 751 452 397 977 8 -455 -209 -398 -480 348 -295 -1240 -669 -631 -510 35 26 -17 -23 63 -57 289 613 403 67 -88 -820 -228 76 110 296 649 221 1172 1107 178 388 -101 88 5 254 -127 -204 303 -189 -290 -212 -167 -307 -133 -358 -276 -286 -286 -214 -381 -177 -488 -92 -477 -234 -273 -281 -69 -106 -11 -220 101 -135 84 137 19 -44 -97 -74 -270 -99 -315 135 -76 98 -23 -245 -318 -344 -281 -417 -104 -491 -271 -296 -104 -158 6 -155 -214 -90 -244 330 143 270 656 457 366 516 405 120 337 373 642 772 863 559 247 497 78 524 420 234 -78 191 151 54 5 42 -2 -85 39 -806 -669 -1580 -1551 -902 -906 -764 -80 408 328 432 627 432 533 660 439 433 1193 9 -592 -279 -496 -552 385 -349 -1589 -894 -831 -710 52 41 -29 -38 101 -86 403 886 557 98 -138 -1340 -370 120 168 430 960 315 1621 1614 266 619 -171 155 8 484 -258 -404 611 -389 -589 -414 -334 -594 SS 20210922T123830.9Z 7935.526747 278 1 49.64 2 69.70 108.24 95.51 278.66 0.00 1 0.00 1 0 17 2.041e-02 5.217e-03 5.421e-03 6.729e-04 3.592614e-01 3.493782e-04 4.270917e-03 -6.000000e+00 1.194739e-02 228.51 -2.00 3.50 -2.00 318.99 0.00e+00 6.257981e-04 7.104140e-05 1.343645e-04 -6.000000e+00 4.758081e-04 287.37 -2.00 20.00 -2.00 318.67 0.00e+00 2.852 0.000 302.00 328.00 3 1.0114e+00 9.4895e-04 3.4066e-02 -6.0000e+00 2.9960e-02 2.2697e-02 1.0730e-03 1.8698e-02 -6.0000e+00 3.2540e-02 -7.3779e-03 8.0706e-04 9.3913e-03 -6.0000e+00 1.9114e-02 -3.4257e-03 4.3193e-04 2.7707e-03 -6.0000e+00 8.0464e-03 7.2405e-03 -3.2804e-04 2.0702e-05 3.1948e-05 -6.0000e+00 5.7710e-04 2.2257e-03 -5.9781e-05 10 0 0 10 0 0 99.97 22.85 0.23 0.00223 -0.00024 383 78 1 5 0 129.590 26.00 19.98 22.85 31.48 12.9 1024.36 -7790 -5682 -5714 -3686 -10669 -4361 -6941 -2526 -6156 -5277 -7113 -4453 -3205 -2402 759 -1930 146 -1070 600 442 -268 703 -720 129 -1108 -60 -2361 -359 -896 429 -291 580 -384 -2320 -1431 -2946 -1793 -1442 -612 -1581 -1110 -1080 -578 -340 -120 -253 -584 173 -487 874 543 694 1292 918 1129 929 776 273 758 950 1495 1417 1652 832 5 930 -28 586 861 300 182 272 211 76 92 20 -87 -167 -346 -1155 -931 -1694 -1716 -1062 -955 -623 -210 343 199 353 589 488 631 682 400 426 886 166 -450 -303 -285 -401 362 -163 -1154 -661 -641 -486 6 182 -68 -57 68 -57 290 607 426 168 -61 -722 -233 67 71 202 577 305 1210 1147 228 342 -114 0 87 253 -101 -259 317 -123 -268 -274 -163 -322 -287 -221 -223 -140 -403 -159 -285 -112 -285 -251 -351 -238 -199 -174 62 -177 14 -109 63 48 -30 78 -86 16 -148 -8 -325 -45 -110 55 -42 91 -66 -402 -233 -511 -349 -332 -168 -503 -378 -384 -211 -124 -44 -93 -213 62 -177 330 223 305 602 454 575 486 411 143 390 493 816 780 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