File name: Pandora69s1_NewBrunswickNJ_20211103_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T192033.8Z 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_20211103_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: 20211103 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 20211103T120402.0Z 7977.502801 100 1 49.05 2 84.90 115.00 67.17 120.84 0.00 1 0.00 1 0 25 6.309e-01 5.954e-02 5.190e-01 4.334e-02 9.376633e-01 2.631863e-02 1.007551e-02 -6.000000e+00 3.737562e-01 224.37 -2.00 3.50 -2.00 322.17 0.00e+00 8.631839e-03 1.101924e-02 1.311011e-03 -6.000000e+00 1.766074e-02 282.27 -2.00 20.00 -2.00 321.81 0.00e+00 9.674 0.016 302.00 328.00 3 -5.0083e-01 8.4037e-02 1.0898e-01 -6.0000e+00 9.2652e-01 1.7461e+00 9.9450e-02 4.9076e-02 -6.0000e+00 1.0146e+00 -1.7009e+00 8.2868e-02 2.6362e-02 -6.0000e+00 5.9424e-01 5.7773e-01 4.5316e-02 9.1489e-03 -6.0000e+00 2.5067e-01 1.8320e-05 2.2778e-03 1.3304e-03 1.4797e-04 -6.0000e+00 1.8561e-02 4.3605e-03 1.4003e-04 12 8 8 10 0 0 51.77 22.82 1.54 0.00436 0.02148 22 5 1 5 0 2228.900 26.00 20.00 22.82 9.43 13.3 891.84 -92888 42818 1104 900000 -69938 900000 -45851 -123834 -131950 -19208 145448 900000 -16562 900000 163087 -34097 900000 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2740 835 3332 2553 900000 2625 1011 900000 4702 4798 5297 3879 3532 5478 3781 4188 3058 4312 6577 4454 -3893 -9397 3261 -3290 7851 3070 4694 7173 4604 -1606 -3961 2592 -7418 6703 455 3195 1020 5502 49 4553 2211 2280 -4198 5858 6179 -2355 1705 3904 880 -1825 -3603 -39671 8955 7537 4138 4918 -2815 -613 5276 -363 -9718 -3451 3486 -3591 8411 2655 97 -2643 696 6416 -1443 2927 -9524 -214 -933 -2687 -2762 -908 -295 2156 2300 3158 5539 5557 11392 739 751 -5899 6283 -3812 1791 -1111 1392 -3904 2658 -757 -6134 SS 20211103T121642.2Z 7977.511600 103 1 49.25 2 82.74 117.17 65.22 123.44 0.00 1 0.00 1 0 17 5.456e-01 1.359e-02 3.098e-01 7.231e-03 8.094875e-01 4.169974e-03 8.710700e-03 -6.000000e+00 3.145730e-01 224.37 -2.00 3.50 -2.00 322.03 0.00e+00 6.660233e-03 1.848947e-03 1.187337e-03 -6.000000e+00 1.310574e-02 282.27 -2.00 20.00 -2.00 321.69 0.00e+00 7.297 0.007 302.00 328.00 3 -3.0928e-01 1.3703e-02 8.4646e-02 -6.0000e+00 7.8141e-01 4.5332e-01 2.0572e-02 4.4740e-02 -6.0000e+00 8.5132e-01 -5.6690e-01 2.4479e-02 2.6404e-02 -6.0000e+00 5.0188e-01 2.2450e-01 1.1767e-02 9.4948e-03 -6.0000e+00 2.1520e-01 2.3540e-04 -6.8262e-04 2.2591e-04 1.3143e-04 -6.0000e+00 1.5472e-02 4.5013e-03 8.3093e-05 12 8 8 10 0 0 11.63 22.81 0.50 0.00450 -0.00063 108 22 1 5 0 455.840 25.90 20.00 22.81 10.30 13.3 897.99 900000 -246250 96404 -216667 -128832 -160107 -122518 -239972 -176312 -73551 -94241 900000 -192521 -14278 -95942 -4992 -52563 -72788 -50983 -93437 6907 -97984 -78033 -78650 -26647 24555 -28692 -68832 -102028 -45077 -42825 15684 -21458 15815 -20352 -6305 30363 5758 642 10550 46714 -16503 30089 7966 8878 2124 19106 4604 10915 15075 14323 24902 10539 17790 17536 11593 6943 8244 13013 8777 11884 -721 13160 10393 10345 6494 7927 3337 11375 10852 4654 7464 1729 6592 -2216 4296 136 -4394 -1592 971 1029 -821 1504 815 420 650 1272 118 -372 300 -1913 1499 -2567 -696 -2408 -573 -3784 -340 -1111 -113 16 -1417 646 -2449 -1774 -2191 -1256 -757 -776 -688 -870 -310 -302 420 -784 804 -364 -81 214 -412 1338 930 1834 486 666 321 1747 604 389 821 13 533 247 580 -99 -412 136 -270 -266 -167 -96 -799 900000 -4733 679 -2915 -908 -1241 -863 -4305 -1988 -518 -664 900000 -4440 -101 -1555 -39 -741 -1385 -826 -2155 63 -2323 -1760 -1885 -394 225 -445 -1552 -3072 -1017 -1177 287 -650 334 -588 -164 621 179 23 399 1481 -952 1251 383 432 114 906 268 643 946 1028 1787 959 1630 1685 1218 770 877 1276 900 1264 -99 1821 1651 1690 1103 1376 652 2332 2538 1240 1956 459 1529 -503 834 27 -1011 -424 304 377 -348 617 359 199 323 652 62 -193 160 -973 709 -1288 -378 -1427 -394 -3162 -313 -1079 -105 14 -1106 505 -1876 -1439 -1882 -1153 -761 -881 -890 -1250 -464 -452 605 -1097 1094 -517 -121 333 -651 2004 1342 2535 655 868 410 2231 867 646 1535 27 1186 587 1472 -269 -1163 390 -781 -749 -441 -238 -1880 SS 20211103T122836.4Z 7977.519866 106 1 48.50 2 80.74 119.26 63.45 125.97 0.00 1 0.00 1 0 25 4.945e-01 7.866e-03 9.679e-02 2.480e-03 6.883620e-01 1.348616e-03 7.525409e-03 -6.000000e+00 2.850662e-01 224.37 -2.00 3.50 -2.00 321.47 0.00e+00 3.308053e-03 5.509523e-04 8.003095e-04 -6.000000e+00 1.152844e-02 282.27 -2.00 20.00 -2.00 321.16 0.00e+00 5.907 0.004 302.00 328.00 3 -4.0948e-01 4.1920e-03 6.8975e-02 -6.0000e+00 7.0814e-01 1.4901e-01 6.0742e-03 3.7221e-02 -6.0000e+00 7.7133e-01 -1.6182e-01 7.2529e-03 2.1375e-02 -6.0000e+00 4.5446e-01 5.6449e-02 3.5632e-03 7.4031e-03 -6.0000e+00 1.9304e-01 1.1306e-03 -1.1650e-04 7.5657e-05 9.4762e-05 -6.0000e+00 1.3965e-02 4.0884e-03 8.1052e-05 11 8 0 10 0 0 9.50 22.82 0.32 0.00409 0.00321 260 53 1 5 0 186.400 26.00 19.98 22.82 11.43 13.4 905.16 -160639 -144595 -157744 -185498 -182339 -191070 -105322 -126184 -179496 -139871 -141987 -105601 -103689 -76037 -73656 -53920 -46455 -29864 -43074 -43819 -39154 -35600 -30169 -40636 -15598 -39322 -41949 -42893 -24723 -15228 -5401 -3321 -10657 -4190 -5750 -8328 -7192 2739 -574 3725 3256 4931 7350 535 4858 3567 328 2352 5096 6563 5240 6920 4106 6892 3600 5152 5098 3701 1432 2926 3015 2922 5373 3211 4428 4188 4067 2038 1820 1190 1631 1966 1234 697 16 -180 -225 -455 -1593 -1749 -943 -2075 -1706 -1926 -414 -853 -59 438 854 821 783 99 -898 383 -746 -33 171 212 -552 148 4 -351 192 -950 -1107 -1184 -1022 -703 -167 74 -123 87 96 -74 -108 546 79 48 -332 -567 79 431 488 415 722 139 1219 826 175 227 -92 108 -89 322 -296 -49 436 -122 -313 -72 -163 -396 -1282 -1119 -1450 -2108 -1896 -2264 -586 -976 -2648 -1488 -1682 -1073 -1354 -975 -1158 -821 -741 -448 -792 -848 -729 -654 -569 -840 -294 -899 -987 -990 -544 -357 -140 -91 -356 -134 -179 -282 -277 115 -31 223 215 343 522 42 370 283 28 206 463 648 592 853 525 929 527 771 776 560 216 439 484 529 1088 732 1011 946 943 514 522 390 572 699 426 224 5 -48 -59 -128 -531 -693 -431 -1081 -953 -1148 -261 -571 -41 305 582 528 470 57 -523 239 -541 -27 166 231 -632 162 4 -323 166 -871 -1085 -1223 -1130 -843 -221 110 -184 134 146 -118 -163 804 120 77 -562 -974 131 688 753 614 1028 194 1686 1257 305 405 -180 223 -196 750 -739 -127 1139 -324 -812 -177 -376 -874 SS 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