File name: Pandora55s1_QueensNY_20220110_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T111133.0Z 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_20220110_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: 20220110 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 20220110T131403.8Z 8045.551433 94 1 49.80 2 82.11 128.06 125.55 32.60 0.00 1 0.00 1 0 25 6.543e-01 2.500e-02 2.241e-01 4.203e-03 8.549716e-01 2.470217e-03 9.639222e-03 -6.000000e+00 3.936417e-01 223.61 -2.00 3.51 -2.00 321.77 0.00e+00 8.303639e-03 1.337771e-03 6.535306e-03 -6.000000e+00 2.078172e-02 275.66 -2.00 20.00 -2.00 321.33 0.00e+00 6.800 0.006 302.00 328.00 3 6.0054e-01 8.7858e-03 9.0866e-02 -6.0000e+00 9.7482e-01 4.6639e-01 1.3180e-02 7.2950e-02 -6.0000e+00 1.0719e+00 -6.5645e-01 1.4103e-02 2.9028e-02 -6.0000e+00 6.3160e-01 2.7640e-01 6.4357e-03 1.0035e-02 -6.0000e+00 2.6247e-01 1.4575e-04 -3.4778e-03 1.2146e-04 1.2393e-04 -6.0000e+00 2.0263e-02 3.9950e-03 -1.4050e-04 12 8 8 10 0 0 79.87 22.70 0.37 0.00400 -0.02214 74 14 1 5 0 672.850 25.58 20.01 22.70 3.36 29.3 1017.18 -172327 900000 900000 -279722 900000 900000 -100109 900000 -53742 96571 -269171 900000 -211299 -242654 900000 -29051 -101965 900000 900000 900000 900000 -11584 900000 -75993 900000 -32557 900000 84311 54389 -62642 47397 900000 34246 -2097 58669 900000 -16523 34079 135104 214216 -2750 97632 5083 48089 44058 225091 1367 91827 89559 52424 41867 19480 26346 69369 62733 31701 42229 31511 40690 25411 16273 49728 13828 5576 25758 5064 24079 6538 11951 13459 5302 5367 15874 824 13931 2321 11223 16705 2900 3374 -2526 8353 809 3116 -5238 -812 -5211 -1277 -4551 -1712 -1624 -663 -698 -874 -2070 115 -2635 -3094 -1379 -3767 -1083 -1934 738 2206 42 -1464 -1456 -1356 -705 1492 -1037 -3004 -917 -967 -1061 1025 1378 2127 12 -499 -502 134 1923 2088 549 1118 1144 2116 982 -460 516 1018 1457 1459 -36 -360 242 434 -574 -956 -349 -683 -93 -1116 -1456 900000 900000 -8555 900000 900000 -469 900000 -220 395 -8254 900000 -5337 -10971 900000 -275 -2284 900000 900000 900000 900000 -140 900000 -1761 900000 -544 900000 452 395 -1529 476 900000 583 -56 890 900000 -517 737 1309 1138 -134 2009 267 1753 1704 1564 83 2505 2670 2395 2328 1499 2110 4066 4204 2968 3694 3055 3556 2488 1735 4105 1793 891 3802 951 3843 1257 2348 2924 1388 1503 4106 237 3303 557 2285 3179 675 908 -850 2967 346 1420 -2731 -430 -3011 -741 -2764 -1003 -919 -354 -357 -451 -1160 72 -1963 -2670 -1312 -3918 -1107 -1880 641 1768 35 -1263 -1324 -1300 -725 1657 -1314 -4244 -1352 -1456 -1578 1460 1922 2990 17 -771 -787 207 2811 2952 766 1519 1521 2769 1366 -717 891 1905 2895 3041 -79 -841 581 1063 -1419 -2360 -833 -1558 -201 -2364 SS 20220110T132652.0Z 8045.560324 97 1 49.05 2 80.23 130.39 124.20 35.93 0.00 1 0.00 1 0 25 5.030e-01 9.644e-03 8.505e-02 1.842e-03 7.362938e-01 1.009555e-03 8.348290e-03 -6.000000e+00 2.963937e-01 223.61 -2.00 3.51 -2.00 321.07 0.00e+00 4.855709e-03 4.634227e-04 2.536780e-03 -6.000000e+00 1.338616e-02 275.66 -2.00 20.00 -2.00 320.59 0.00e+00 5.628 0.003 302.00 328.00 3 3.9277e-01 3.2363e-03 6.9490e-02 -6.0000e+00 7.3056e-01 8.8299e-02 4.5605e-03 4.4613e-02 -6.0000e+00 7.9686e-01 -6.9161e-02 4.9678e-03 2.0923e-02 -6.0000e+00 4.7185e-01 1.7918e-02 2.3840e-03 8.1161e-03 -6.0000e+00 1.9895e-01 6.3106e-04 -2.1345e-03 5.2426e-05 8.7559e-05 -6.0000e+00 1.5310e-02 2.5680e-03 -6.4035e-05 12 9 8 11 8 0 91.46 22.70 0.26 0.00257 -0.01347 181 34 1 5 0 270.920 25.58 19.99 22.70 3.65 29.3 1018.89 -252527 900000 900000 -202594 -172910 900000 -188337 900000 -146449 -116182 -197671 -81830 -116592 -187605 900000 -66524 -43354 -26219 84683 26357 13111 -28578 -2447 -42037 -45627 -27274 71746 -16775 -41803 -40560 -30031 9960 -14281 -21868 3357 39675 -3071 -17992 19544 -201 1245 -1153 -3936 -5869 1464 15636 -5858 10675 3761 14426 1383 5238 -2132 10190 8007 3083 3613 2733 5161 -597 3603 3807 5499 -1292 4416 -494 3785 712 2824 1905 -524 152 -267 -742 -814 638 424 3941 719 1104 -298 790 -753 -1526 -1691 -1255 -1052 -1429 -638 -744 -33 -63 653 1079 522 1470 -118 572 -585 -578 -504 -255 551 1216 -235 -1268 -836 -1239 -23 104 -22 -767 -43 -317 177 606 1137 1189 200 -259 -889 -179 44 416 -162 -21 319 1622 686 -147 446 -36 600 145 122 -579 -25 78 -316 -631 -127 -164 228 265 -2947 900000 900000 -2031 -1242 900000 -1634 900000 -1074 -695 -2928 -441 -1134 -4586 900000 -866 -532 -310 367 221 131 -445 -30 -836 -1031 -551 558 -319 -1038 -1074 -845 232 -471 -873 107 950 -110 -865 788 -12 85 -90 -339 -541 129 1237 -554 967 361 1345 163 671 -330 1539 1337 573 695 539 981 -118 688 776 1246 -334 1198 -147 1079 213 888 684 -218 63 -115 -311 -339 238 145 1267 254 450 -138 422 -462 -971 -1152 -905 -802 -1143 -515 -594 -25 -45 439 761 372 1182 -106 594 -658 -697 -606 -284 580 1184 -234 -1349 -938 -1403 -28 139 -31 -1168 -69 -514 276 904 1716 1810 306 -418 -1478 -291 69 652 -247 -31 451 2229 1004 -232 760 -68 1156 297 256 -1303 -56 180 -740 -1475 -284 -361 488 550 SS 20220110T133419.6Z 8045.565505 102 1 48.44 2 79.16 131.78 123.36 37.81 0.00 1 0.00 1 0 25 3.397e-01 7.722e-03 7.521e-02 1.360e-03 6.803251e-01 7.253338e-04 7.834415e-03 -6.000000e+00 1.976598e-01 223.61 -2.00 3.51 -2.00 320.71 0.00e+00 3.357197e-03 2.991268e-04 2.006237e-03 -6.000000e+00 8.765061e-03 275.65 -2.00 20.00 -2.00 320.21 0.00e+00 5.123 0.002 302.00 328.00 3 3.7278e-01 2.2195e-03 6.2764e-02 -6.0000e+00 4.8712e-01 6.5186e-02 2.9396e-03 3.8753e-02 -6.0000e+00 5.3064e-01 -3.8934e-02 3.0597e-03 1.8585e-02 -6.0000e+00 3.1623e-01 4.9952e-03 1.5112e-03 6.3805e-03 -6.0000e+00 1.3313e-01 1.0964e-03 -2.2344e-03 3.8593e-05 7.4031e-05 -6.0000e+00 1.0147e-02 2.9154e-03 -8.8188e-05 11 8 0 10 0 0 47.79 22.70 0.24 0.00292 -0.01387 234 44 1 5 0 206.970 25.58 20.01 22.70 3.88 29.3 1019.79 -146547 -52688 900000 -165764 -65508 -127005 -87896 -1637 -87630 -89762 -141561 -74847 -109156 -109837 18802 -24435 -36430 -57553 -1140 15134 -15063 -22434 -11908 -29823 -12125 -25693 32421 -12564 -18701 -28707 -5923 -980 -4874 -12650 -2025 19802 -6929 -4299 2365 1042 -2653 2126 -4304 -1638 -1146 4496 -2067 2265 3441 4946 1742 1571 1022 5416 3412 1909 1550 -325 1492 -209 1161 3623 2511 405 1639 322 2988 1290 2022 1436 129 -133 -9 -1131 -566 124 1068 1854 1384 369 -28 -100 -1216 -963 -1632 -1329 -1549 -799 -964 -510 -164 566 801 1692 1349 1191 352 466 -110 -735 -308 -482 518 1093 -278 -1266 -729 -991 -109 281 -69 -604 -243 -105 -11 778 1054 1123 266 -447 -743 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