File name: Pandora69s1_NewBrunswickNJ_20221014_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T213927.6Z 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_20221014_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: 20221014 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 20221014T114825.4Z 8322.491960 266 1 20.53 2 83.30 106.85 45.70 266.99 0.00 1 0.00 1 0 17 5.995e-01 2.386e-02 4.726e-01 1.860e-02 8.836032e-01 1.090922e-02 9.440996e-03 -6.000000e+00 3.540533e-01 226.14 -2.00 3.50 -2.00 322.13 0.00e+00 1.521996e-02 4.795064e-03 1.316529e-03 -6.000000e+00 1.531688e-02 284.71 -2.00 20.00 -2.00 321.78 0.00e+00 7.805 0.009 302.00 328.00 3 2.6374e-01 3.5644e-02 9.1363e-02 -6.0000e+00 8.8370e-01 9.0518e-01 5.0828e-02 4.8783e-02 -6.0000e+00 9.6419e-01 -1.1116e+00 5.6618e-02 2.8533e-02 -6.0000e+00 5.6213e-01 4.4923e-01 2.7803e-02 1.0213e-02 -6.0000e+00 2.4018e-01 6.6582e-05 -1.6236e-03 5.5772e-04 1.4555e-04 -6.0000e+00 1.7446e-02 1.1012e-02 9.1420e-05 12 9 9 12 1 1 93.24 22.80 0.53 0.01101 -0.00119 13 7 1 5 0 1453.310 25.90 20.01 22.80 17.61 22.2 948.73 900000 900000 12657 -84648 -98728 900000 900000 -199545 -95555 -231210 900000 -145567 -51373 -83373 2898 19410 -96895 -80596 900000 15337 -10321 900000 -33556 -18707 -11444 10209 -93309 -75463 -78755 -67257 104425 -38663 134136 294289 176896 47769 88567 -3826 54167 97283 205244 118427 -27972 36797 79719 103945 12425 31246 14661 79027 16831 28376 43210 24219 19297 28874 22014 2851 47384 -13908 3060 16236 17562 35659 11965 10050 30690 16474 6366 11978 9946 17204 7152 7198 3527 -5713 3014 -4399 19197 5229 -1207 -2977 -2244 1940 7124 6667 577 3127 3366 -1025 3034 926 -4376 -311 -3884 -3556 -6092 -965 -2550 698 -5287 -1437 -2191 -1426 -4930 -3357 -2703 -4451 -740 1788 -317 -3181 306 -606 1058 -897 698 -225 845 2749 868 3554 1537 1443 1561 67 1323 811 -355 -131 729 708 829 -257 799 -894 288 -105 96 -1316 -830 -331 900000 900000 229 -1533 -1788 900000 900000 -5586 -1731 -8756 900000 -3116 -930 -1785 52 352 -3989 -3052 900000 278 -187 900000 -718 -339 -207 185 -3380 -2237 -2593 -2436 1891 -1591 2429 5330 3204 952 1604 -145 1338 1938 3717 2145 -2073 1454 2310 2447 696 1543 917 2863 1275 2103 2988 2153 1843 2520 2030 305 3121 -1695 338 1791 2227 4227 1852 1589 4093 2713 1310 2623 2358 3796 1649 1505 680 -1101 531 -927 3856 1464 -388 -1105 -891 782 2903 2868 273 1458 1539 -462 1227 369 -1882 -143 -2192 -2394 -4993 -861 -2436 626 -4636 -1078 -1538 -1023 -3892 -2751 -2379 -4414 -806 2183 -442 -4810 450 -875 1449 -1245 987 -339 1315 4203 1298 4941 2104 1903 1999 85 1698 1176 -607 -255 1561 1638 2045 -634 2075 -2437 787 -289 256 -3324 -2102 -783 SS 20221014T115828.9Z 8322.498946 269 1 49.69 2 81.48 108.56 47.56 268.65 0.00 1 0.00 1 0 17 5.950e-01 9.637e-03 1.534e-01 3.847e-03 7.575582e-01 2.132419e-03 8.180171e-03 -6.000000e+00 3.450899e-01 226.14 -2.00 3.50 -2.00 321.73 0.00e+00 4.826439e-03 9.039418e-04 9.849872e-04 -6.000000e+00 1.386951e-02 284.71 -2.00 20.00 -2.00 321.40 0.00e+00 6.356 0.005 302.00 328.00 3 -2.5000e-01 6.8231e-03 7.5185e-02 -6.0000e+00 8.6061e-01 2.5960e-01 1.0219e-02 4.1738e-02 -6.0000e+00 9.3652e-01 -3.1100e-01 1.2270e-02 2.4291e-02 -6.0000e+00 5.5111e-01 1.1962e-01 5.9372e-03 8.5158e-03 -6.0000e+00 2.3297e-01 5.7377e-04 -3.6533e-04 1.1698e-04 1.1441e-04 -6.0000e+00 1.6817e-02 1.0405e-02 8.8991e-05 12 8 8 10 0 0 -5.92 22.80 0.32 0.01040 0.00766 172 35 1 5 0 288.850 25.90 20.01 22.80 18.45 22.2 954.09 -189730 -200164 -209669 -138077 -206711 -203237 -194521 -180203 -166475 -117762 -180571 -168532 -137147 -122351 -96342 -45608 -75787 -73717 -39493 -78075 -40917 -46462 -15620 -24688 -43480 -33010 -44893 -37513 -47170 -32616 -28543 2853 -6073 -15980 -14992 5077 -8549 -15871 -3993 -4165 11397 1668 3863 6550 14522 10082 8621 4241 5332 8361 12393 12620 11819 8527 10038 6379 2066 3406 4978 8221 8670 5568 8512 6089 5806 5065 4075 3596 3649 3706 4200 3407 2193 3078 -447 188 -2158 -416 -1543 -1899 -946 -2277 -995 -733 -242 -736 -345 492 899 204 131 -387 -1766 -621 -998 -326 -9 -714 -436 276 -177 -566 101 -1567 -1504 -1372 -1182 -595 -412 -182 -346 36 28 -94 -95 534 115 130 99 -373 420 597 685 250 785 110 1418 887 101 422 162 162 184 68 -481 -60 287 -108 -215 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284.71 -2.00 20.00 -2.00 320.76 0.00e+00 5.030 0.002 302.00 328.00 3 -4.2842e-01 2.1499e-03 5.9788e-02 -6.0000e+00 4.6750e-01 8.2386e-02 2.9236e-03 3.3301e-02 -6.0000e+00 5.0875e-01 -7.1354e-02 3.3783e-03 1.8670e-02 -6.0000e+00 2.9938e-01 1.9058e-02 1.7076e-03 6.2881e-03 -6.0000e+00 1.2655e-01 2.7939e-03 -6.1448e-05 4.1155e-05 7.3938e-05 -6.0000e+00 9.1360e-03 1.0067e-02 5.7729e-05 10 0 0 10 0 0 1.04 22.80 0.28 0.01007 0.00961 422 86 1 5 0 117.860 25.90 20.01 22.80 20.05 22.4 966.14 -104638 -97815 -102692 -125339 -109721 -120921 -99502 -107152 -91693 -97185 -92446 -73949 -69842 -35708 -31808 -21523 -25138 -25228 -24893 -21530 -24321 -27337 -14558 -16860 -13509 -19635 -16508 -21760 -26224 -10337 -8326 -5116 -3568 -7232 -9878 -4659 -4929 -2764 -587 423 -616 1317 720 1414 976 2050 1665 1264 1844 3043 2390 3431 3507 2733 2143 2807 1880 2079 1355 2113 2285 2042 2867 1815 1006 1544 482 1167 1325 1139 898 335 896 671 -8 -474 -1624 -1004 -1222 -1250 -1318 -1663 -1785 -1210 -839 -611 113 760 787 742 830 490 152 296 -114 40 719 147 -331 -26 -165 -108 176 -639 -1347 -847 -756 -632 86 130 38 107 142 -56 326 378 208 43 -338 -739 -1 114 99 211 496 148 1258 770 76 226 57 70 -26 185 -198 -352 375 -162 -256 -13 -109 -125 -774 -762 -868 -1242 -884 -1150 -854 -1132 -933 -1117 -1099 -889 -1033 -476 -504 -358 -485 -536 -514 -450 -529 -630 -322 -415 -344 -559 -454 -609 -790 -307 -289 -201 -156 -330 -447 -213 -261 -173 -44 37 -59 132 76 151 107 227 190 151 231 413 336 527 589 500 414 559 384 416 267 417 483 485 766 533 298 446 143 365 470 458 387 148 379 264 -3 -156 -525 -344 -487 -586 -713 -1011 -1165 -836 -620 -476 90 615 625 555 576 324 101 209 -92 38 770 176 -412 -31 -182 -108 169 -648 -1467 -966 -919 -831 115 192 61 174 227 -85 469 534 303 65 -549 -1223 -1 176 149 302 737 214 1801 1208 124 408 112 144 -56 427 -487 -834 898 -395 -609 -31 -249 -275 SS 20221014T121820.6Z 8322.512739 277 1 49.69 2 77.94 112.03 51.23 271.79 0.00 1 0.00 1 0 25 2.340e-01 5.419e-03 3.196e-02 1.011e-03 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