File name: Pandora55s1_QueensNY_20220224_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T112917.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20220224_L1_smca1c19d20211111p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20220224 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20220224T124106.4Z 8090.528546 222 1 49.61 2 79.17 112.53 67.91 198.73 0.00 1 0.00 1 0 17 5.091e-01 2.003e-02 1.816e-01 3.825e-03 5.862334e-01 2.076547e-03 6.679899e-03 -6.000000e+00 3.038304e-01 225.31 -2.00 3.51 -2.00 320.56 0.00e+00 6.439224e-03 7.928914e-04 1.171690e-03 -6.000000e+00 1.410414e-02 275.89 -2.00 20.00 -2.00 320.04 0.00e+00 5.126 0.002 302.00 328.00 3 2.3308e+00 6.2528e-03 5.9994e-02 -6.0000e+00 7.5184e-01 1.9681e-01 7.8640e-03 3.4051e-02 -6.0000e+00 8.2019e-01 -2.0835e-01 7.3043e-03 1.6076e-02 -6.0000e+00 4.8512e-01 8.2414e-02 3.6472e-03 8.5822e-03 -6.0000e+00 2.0288e-01 1.6488e-04 -1.6804e-03 1.1694e-04 7.9702e-05 -6.0000e+00 1.5577e-02 8.1277e-04 -2.7043e-05 12 8 8 10 0 0 97.77 22.65 0.41 0.00081 -0.01181 39 7 1 5 0 1271.160 25.58 19.99 22.65 4.42 29.6 1011.31 57852 900000 900000 -180428 88175 900000 -156174 900000 -52050 233 -153819 -59545 -125088 -59265 900000 -27803 183828 -14004 900000 113618 336885 -25750 48584 -66468 -5093 -28549 900000 -10745 -27933 -36452 -1821 49856 -3285 -22510 -1015 197139 -7249 -7067 29463 32240 -2930 12177 -6564 -1439 15250 30474 650 21732 17823 17713 7304 668 820 15750 20197 9744 15884 9489 8970 1676 2410 12144 4932 -3007 8174 -4359 7076 -4002 2255 2129 -2644 -1141 3900 -2474 4639 -1586 2021 7097 -834 636 -5509 -2177 -1108 -209 -4103 -956 -3620 -1039 -2835 -259 -1223 -1129 164 -1526 -885 -549 -858 -1054 -426 -578 79 -209 245 2521 1215 86 -581 -477 267 1781 119 -1896 3 -916 -845 423 1103 1936 385 -242 -942 160 1030 1725 -850 56 194 1739 174 82 771 749 859 911 369 -435 35 -371 -156 -772 -58 -849 313 -740 216 900000 900000 -8011 329 900000 -5050 900000 -750 2 -6430 -1126 -5250 -1691 900000 -874 871 -482 900000 1333 1255 -1163 1107 -4613 -211 -1538 900000 -495 -1501 -2208 -90 1775 -222 -1960 -73 2173 -564 -619 2178 2714 -385 1514 -1024 -223 2069 3670 105 2972 2602 2716 1324 141 188 3395 4438 2440 3886 2475 2327 457 661 3217 1542 -1120 2961 -1799 2589 -1605 893 932 -1333 -607 2024 -1329 2214 -740 844 2724 -358 300 -3138 -1358 -754 -151 -3218 -771 -3133 -918 -2584 -229 -1056 -924 125 -1158 -695 -471 -826 -1132 -497 -712 96 -243 263 2539 1257 94 -670 -573 336 2378 173 -2983 5 -1471 -1316 629 1589 2793 580 -382 -1534 258 1615 2629 -1287 82 277 2404 251 127 1291 1328 1590 1741 738 -909 75 -816 -347 -1721 -127 -1793 631 -1480 SS 20220224T124731.3Z 8090.533001 225 1 50.83 2 78.05 113.67 68.32 200.19 0.00 1 0.00 1 0 17 2.773e-01 2.583e-02 6.120e-02 4.778e-03 5.343127e-01 2.607852e-03 6.139161e-03 -6.000000e+00 1.671464e-01 225.31 -2.00 3.51 -2.00 320.33 0.00e+00 6.113820e-03 9.132127e-04 4.313637e-04 -6.000000e+00 8.298897e-03 275.89 -2.00 20.00 -2.00 319.79 0.00e+00 4.683 0.002 302.00 328.00 3 3.2302e+00 7.6650e-03 5.4242e-02 -6.0000e+00 4.1440e-01 1.7049e-01 9.3761e-03 2.9265e-02 -6.0000e+00 4.5356e-01 -1.8793e-01 8.2016e-03 1.4789e-02 -6.0000e+00 2.6582e-01 8.1913e-02 4.1549e-03 7.7723e-03 -6.0000e+00 1.1271e-01 1.0797e-04 -2.2262e-03 1.5036e-04 7.7738e-05 -6.0000e+00 8.6927e-03 7.9154e-04 -7.3821e-05 12 9 8 11 32 0 99.84 22.65 0.55 0.00079 -0.01594 24 5 1 5 0 2117.540 25.58 20.00 22.65 4.38 29.7 1011.28 900000 900000 900000 -162091 900000 900000 -96027 900000 900000 -4147 -118400 -12472 -120547 -26349 900000 52261 -68699 3158 900000 900000 -9985 -20559 53762 -62172 19223 -27773 900000 -7213 -18475 -39951 18180 52695 11759 -17305 7990 29019 -6900 11770 35024 39673 -10078 17824 -17728 -6288 10112 33608 -342 29659 21199 16643 11462 -2083 295 25515 25010 8133 20031 8725 12907 -467 2280 13993 222 -4063 8423 -4422 6815 -4514 3118 1074 -3675 -2275 5399 -3989 9603 -1002 5412 10336 78 1 -7821 6379 -842 201 -5238 -415 -4850 -1127 -3441 -1102 -2662 -1796 280 -2462 -1128 -814 -1789 -1702 -245 -2236 -413 -677 1104 2776 2161 625 -473 -430 -93 2476 860 -2729 70 -537 -795 -10 1016 1982 332 -359 -653 -333 2021 2927 -88 132 -580 1140 337 -594 1046 1012 1028 1190 796 -390 253 -20 -129 -1208 -316 -972 423 -1480 900000 900000 900000 -9024 900000 900000 -2601 900000 900000 -59 -5118 -215 -6796 -761 900000 1045 -4783 123 900000 900000 -507 -1160 1521 -5406 824 -1919 900000 -412 -1161 -3159 924 2240 838 -1742 639 1872 -643 1034 2930 3715 -1684 2489 -3628 -1199 1691 4612 -65 4374 3463 2948 2269 -508 76 5630 5867 2305 5243 2539 3579 -144 695 4054 80 -1674 3324 -1984 2694 -1951 1307 503 -1982 -1296 2938 -2315 4684 -499 2340 4096 35 0 -4709 3821 -590 149 -4280 -343 -4385 -1030 -3254 -1017 -2408 -1530 221 -1934 -901 -706 -1745 -1845 -287 -2794 -506 -788 1180 2801 2228 685 -549 -521 -118 3290 1244 -4301 110 -850 -1221 -14 1434 2792 489 -554 -1043 -531 3112 4374 -130 190 -818 1552 475 -899 1691 1735 1833 2183 1523 -784 523 -43 -276 -2599 -664 -1982 823 -2875 SS 20220224T125233.0Z 8090.536493 228 1 50.22 2 77.18 114.57 68.65 201.33 0.00 1 0.00 1 0 25 3.204e-01 1.700e-02 1.128e-01 3.363e-03 5.104892e-01 1.779140e-03 5.917584e-03 -6.000000e+00 1.899310e-01 225.32 -2.00 3.51 -2.00 319.98 0.00e+00 5.293337e-03 5.656314e-04 4.971593e-04 -6.000000e+00 8.408109e-03 275.89 -2.00 20.00 -2.00 319.43 0.00e+00 4.388 0.001 302.00 328.00 3 2.9542e+00 5.1068e-03 5.1068e-02 -6.0000e+00 4.7000e-01 1.2816e-01 6.1305e-03 2.7801e-02 -6.0000e+00 5.1179e-01 -1.1174e-01 5.2284e-03 1.3798e-02 -6.0000e+00 3.0278e-01 4.2286e-02 2.6916e-03 6.7124e-03 -6.0000e+00 1.2636e-01 1.9458e-04 -1.8038e-03 1.0326e-04 6.5783e-05 -6.0000e+00 9.7444e-03 4.8791e-04 -5.5753e-05 12 8 8 10 0 0 99.81 22.65 0.36 0.00049 -0.01307 31 6 1 5 0 1619.730 25.58 20.02 22.65 4.31 29.7 1010.81 -31869 194522 900000 -131591 87080 900000 -74493 900000 55015 -41508 -95867 -39082 -78944 -30205 900000 15070 -43819 -57990 89367 96946 67630 -1663 16702 -37993 -4590 -24213 81761 -4638 -10390 -23880 3352 9760 5039 -18520 8546 68904 752 -9591 15470 13182 -4012 6969 -11243 -741 3328 19141 -2985 17137 4239 9611 5244 -1650 -852 10798 11371 2630 8924 3294 6022 -231 1860 6713 1911 -2495 4076 -2096 4031 -2098 489 1585 -3085 -119 1869 -2446 3980 -1562 1010 3298 -121 -130 -2681 1815 -61 -1438 -3245 -971 -2881 -527 -2330 -636 -1272 -423 -60 548 -460 267 -897 -649 -473 -1187 -357 -357 645 2061 671 -309 -145 -760 246 944 585 -1499 608 -784 -847 612 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