File name: Pandora55s1_QueensNY_20220205_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T113042.5Z 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_20220205_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: 20220205 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 20220205T125515.8Z 8071.538377 68 1 49.75 2 81.54 119.48 109.91 70.60 0.00 1 0.00 1 0 25 6.334e-01 2.222e-02 2.320e-01 3.504e-03 9.350290e-01 2.051298e-03 1.026854e-02 -6.000000e+00 3.824656e-01 224.53 -2.00 3.51 -2.00 321.79 0.00e+00 7.962491e-03 1.108162e-03 5.470025e-03 -6.000000e+00 1.887976e-02 275.27 -2.00 20.00 -2.00 321.36 0.00e+00 6.400 0.005 302.00 328.00 3 5.1945e-01 7.2654e-03 8.8350e-02 -6.0000e+00 9.5168e-01 5.2917e-01 1.1178e-02 7.1464e-02 -6.0000e+00 1.0446e+00 -6.8639e-01 1.2306e-02 3.0395e-02 -6.0000e+00 6.1300e-01 2.8057e-01 5.6057e-03 1.1504e-02 -6.0000e+00 2.5171e-01 2.0211e-04 -2.6842e-03 9.5419e-05 1.3222e-04 -6.0000e+00 1.9613e-02 -9.5852e-04 -8.9459e-05 12 8 8 10 0 0 95.77 22.66 0.37 -0.00096 -0.02113 97 18 1 5 0 512.780 25.58 19.99 22.66 0.00 28.9 1019.78 -31278 54006 900000 -302367 900000 900000 -211743 900000 -22062 900000 -254105 -85016 -232727 -275970 900000 15947 -136054 900000 900000 900000 900000 11131 900000 -67100 -13680 -53402 900000 -3633 -53626 -63301 54021 220106 50397 -37539 20139 900000 25920 2758 120660 90423 8892 50735 13849 44155 23829 93403 19885 54641 65043 73215 33482 22698 20275 43341 51520 20921 38501 31648 37479 17842 14139 36444 15988 6768 21166 1822 21536 6472 13521 11884 4512 5718 10833 1859 14639 2665 5240 16173 2614 2068 -161 5236 940 1018 -3909 -1018 -3019 -915 -4242 -731 -1319 -1521 1305 -1713 -1212 -1061 -2320 -1359 -919 -3269 -1259 -1041 -262 1495 -161 -1354 -1793 -1284 -784 26 -832 -2812 -419 -755 -931 385 1218 1856 185 232 -575 693 1196 2169 681 695 1026 2237 -9 23 827 631 1290 1076 271 -415 -64 129 -515 -624 -502 -336 -186 -809 -107 184 900000 -7760 900000 900000 -2016 900000 -75 900000 -4784 -356 -5285 -12704 900000 73 -3256 900000 900000 900000 900000 84 900000 -1135 -147 -876 900000 -37 -902 -1273 424 750 628 -1211 384 900000 470 70 1174 1405 342 1447 594 1486 989 2054 909 1905 2204 2519 1860 1573 1605 3037 3609 2046 3306 2907 3177 1758 1436 3179 1898 1008 3087 338 3400 1213 2567 2579 1168 1563 2871 515 3348 616 1092 3006 599 554 -52 1907 403 473 -2020 -539 -1700 -525 -2542 -420 -732 -805 650 -885 -676 -679 -1743 -1172 -888 -3448 -1312 -1024 -232 1215 -132 -1166 -1631 -1224 -803 29 -1056 -3999 -624 -1151 -1412 564 1744 2672 279 361 -915 1071 1767 3070 951 948 1363 2924 -12 35 1446 1203 2613 2301 614 -988 -157 322 -1293 -1556 -1210 -768 -401 -1713 SS 20220205T131028.8Z 8071.548945 73 1 48.29 2 79.06 122.21 107.23 73.24 0.00 1 0.00 1 0 25 5.165e-01 8.645e-03 8.637e-02 1.421e-03 7.789756e-01 7.703930e-04 8.777348e-03 -6.000000e+00 3.017284e-01 224.53 -2.00 3.51 -2.00 321.00 0.00e+00 5.494263e-03 3.438633e-04 2.642320e-03 -6.000000e+00 1.330761e-02 275.27 -2.00 20.00 -2.00 320.53 0.00e+00 5.080 0.002 302.00 328.00 3 3.3439e-01 2.4154e-03 6.6816e-02 -6.0000e+00 7.4522e-01 1.2911e-01 3.3773e-03 4.6868e-02 -6.0000e+00 8.1117e-01 -1.1129e-01 3.6999e-03 2.2035e-02 -6.0000e+00 4.8299e-01 3.4221e-02 1.7874e-03 9.3801e-03 -6.0000e+00 2.0302e-01 1.0306e-03 -1.9524e-03 3.8372e-05 8.9603e-05 -6.0000e+00 1.5427e-02 -9.9484e-04 -7.9156e-05 11 8 0 10 0 0 96.51 22.66 0.20 -0.00099 -0.01567 249 47 1 5 0 193.910 25.58 19.99 22.66 0.26 28.9 1019.53 -211829 -166450 900000 -228959 -104211 -161991 -187052 -40709 -112281 -143015 -185710 -149500 -147902 -157694 -7074 -36690 -88160 -76663 133 -1935 -19125 -24908 -19307 -38804 -28761 -29278 26796 -30838 -31308 -56339 -18787 -11404 -5312 -16908 -2387 22124 -2761 -7781 4389 4587 -7122 2503 -7324 1445 -347 11187 -1366 4786 5684 8297 4705 2333 3086 4104 6943 785 4060 556 2916 186 2277 4578 3289 1414 2242 998 2811 1464 2475 2295 715 728 280 -1019 586 -691 326 1732 1294 -231 -24 789 -807 -1654 -1638 -1460 -1475 -643 -902 -393 31 542 715 1213 1030 605 500 569 -494 -723 -252 -374 359 821 -488 -1192 -850 -924 -209 -53 -249 -691 -300 -113 -114 958 997 992 395 -304 -730 -239 103 5 124 32 597 1502 718 44 368 -2 390 230 25 -414 -92 128 -518 -421 -210 39 115 126 -1615 -1000 900000 -2962 -373 -1010 -1577 -97 -571 -1090 -2381 -1554 -1948 -3097 -41 -360 -1731 -1541 1 -22 -272 -383 -290 -762 -558 -612 331 -684 -712 -1652 -488 -317 -168 -676 -85 664 -103 -353 215 272 -513 182 -633 120 -30 899 -130 449 565 872 570 328 485 705 1255 149 777 112 564 36 436 915 754 379 664 314 872 470 846 834 298 327 129 -462 242 -263 119 610 490 -97 -12 431 -509 -1149 -1146 -1083 -1156 -522 -745 -318 24 415 519 869 792 505 464 614 -580 -914 -316 -437 393 828 -500 -1297 -975 -1069 -260 -69 -354 -1095 -481 -183 -180 1497 1510 1515 633 -491 -1210 -386 166 7 185 49 865 2125 1082 72 653 -3 760 476 53 -909 -211 300 -1231 -990 -473 86 244 260 SS 20220205T131632.3Z 8071.553151 76 1 47.77 2 78.09 123.33 106.14 74.27 0.00 1 0.00 1 0 25 3.772e-01 7.026e-03 5.737e-02 1.056e-03 7.386573e-01 5.670492e-04 8.446230e-03 -6.000000e+00 2.203469e-01 224.53 -2.00 3.51 -2.00 320.71 0.00e+00 3.208808e-03 2.330602e-04 2.190250e-03 -6.000000e+00 9.719271e-03 275.27 -2.00 20.00 -2.00 320.21 0.00e+00 4.699 0.002 302.00 328.00 3 2.1527e-01 1.7278e-03 6.1602e-02 -6.0000e+00 5.4422e-01 9.1859e-02 2.3236e-03 4.2159e-02 -6.0000e+00 5.9241e-01 -6.1153e-02 2.4623e-03 2.0441e-02 -6.0000e+00 3.5273e-01 1.2472e-02 1.2134e-03 6.9461e-03 -6.0000e+00 1.4825e-01 1.7401e-03 -1.9948e-03 2.8805e-05 7.9122e-05 -6.0000e+00 1.1268e-02 -6.8839e-04 -9.8234e-05 11 8 0 10 0 0 78.90 22.66 0.20 -0.00069 -0.01568 324 61 1 5 0 147.400 25.58 20.01 22.66 0.35 28.9 1019.50 -129096 -118124 900000 -175985 -86268 -110412 -144292 -34037 -115335 -100996 -137666 -107341 -118456 -105401 -13528 -29270 -58474 -20759 -553 -4237 -8949 -18161 -18208 -34623 -16323 -32620 6115 -23599 -24527 -33002 -12272 -7223 -8760 -9733 -6790 8173 -7695 -5091 -51 2651 -3989 134 -3657 -753 273 3434 -638 1285 4272 1921 3318 996 1916 3007 3514 732 1604 141 808 67 1380 3373 2253 1138 1113 910 1894 1103 2191 1755 724 -257 -81 -911 77 -213 388 1169 1406 154 -330 110 -1111 -1312 -1441 -1097 -1311 -640 -854 -372 177 602 910 1278 1236 822 581 599 -139 -705 -360 -263 247 998 -390 -1130 -801 -855 -122 57 -213 -529 -310 7 84 783 1113 932 258 -460 -785 -312 -34 -246 104 -149 632 1364 749 8 285 6 356 235 48 -419 -147 182 -506 -501 -116 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