File name: Pandora55s1_QueensNY_20211113_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105116.4Z 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_20211113_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: 20211113 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 20211113T123337.4Z 7987.523350 104 1 49.64 2 81.90 122.46 150.12 357.39 0.00 1 0.00 1 0 25 7.347e-01 1.701e-02 2.106e-01 3.465e-03 8.023169e-01 1.985102e-03 8.986772e-03 -6.000000e+00 4.412134e-01 223.44 -2.00 3.51 -2.00 321.58 0.00e+00 9.412181e-03 1.083525e-03 3.905573e-03 -6.000000e+00 2.173956e-02 280.79 -2.00 20.00 -2.00 321.08 0.00e+00 6.647 0.005 302.00 328.00 3 4.3394e-01 7.1231e-03 8.3684e-02 -6.0000e+00 1.0892e+00 2.6085e-01 1.0481e-02 5.9625e-02 -6.0000e+00 1.1933e+00 -3.2053e-01 1.1142e-02 2.3476e-02 -6.0000e+00 7.0037e-01 1.2723e-01 5.1232e-03 1.3963e-02 -6.0000e+00 2.9397e-01 2.1181e-04 -2.7875e-03 9.9766e-05 1.2178e-04 -6.0000e+00 2.3041e-02 -3.1899e-03 -9.5494e-05 12 8 8 10 0 0 18.97 22.85 0.32 -0.00319 -0.02414 95 18 1 5 0 522.430 25.68 20.00 22.85 15.35 30.1 991.42 900000 192500 900000 -318324 900000 900000 -223834 900000 900000 -149857 -253472 -172011 -210338 -143463 900000 21176 -173312 -132573 900000 137290 900000 10843 434127 -38062 -49488 -39844 900000 68994 -53906 -107772 2485 32519 2507 -33646 20474 900000 -10134 -4494 107816 40004 -9755 17293 -16461 9131 13419 69965 -11990 35796 32772 35650 2724 5821 -2873 31712 34078 13139 23891 9150 15021 2392 9545 14412 9144 -443 11391 -1126 17297 1566 7513 6917 -2004 4124 6681 -1012 8812 474 6154 10683 3155 1813 870 4001 1435 -1600 -2630 -1808 -3991 -1113 -3316 -225 -980 -404 -1948 67 0 38 -2330 -168 -826 -1678 -720 -412 726 1904 283 -1945 -1295 -1477 -420 1011 -91 -1784 -684 -257 -363 225 1056 1538 192 154 -744 -233 783 1611 588 446 164 1336 824 -446 350 637 760 803 693 -667 -21 112 -658 -671 -326 -136 -63 -165 900000 649 900000 -8107 900000 900000 -2152 900000 900000 -898 -4435 -1579 -3590 -1740 900000 87 -5539 -3293 900000 463 900000 84 1464 -505 -782 -604 900000 376 -990 -3590 35 424 53 -1112 419 900000 -284 -135 1328 1120 -498 757 -1054 486 709 2265 -863 1741 1752 2013 230 535 -320 2814 3187 1563 2676 1179 1812 319 1198 1844 1382 -83 2143 -250 3271 350 1701 1759 -620 1295 2094 -331 2464 132 1495 2439 827 551 316 1633 675 -842 -1477 -1066 -2526 -713 -2208 -144 -614 -240 -1120 38 0 26 -1860 -151 -833 -1825 -778 -421 676 1639 247 -1806 -1259 -1515 -458 1191 -121 -2598 -1041 -396 -552 332 1512 2213 289 241 -1197 -369 1191 2360 849 628 227 1805 1172 -703 608 1199 1516 1673 1516 -1543 -51 273 -1618 -1645 -779 -310 -137 -350 SS 20211113T125210.2Z 7987.536229 110 1 48.32 2 79.00 125.82 149.95 6.12 0.00 1 0.00 1 0 25 2.987e-01 7.385e-03 8.323e-02 1.267e-03 6.488454e-01 6.692709e-04 7.563033e-03 -6.000000e+00 1.739233e-01 223.44 -2.00 3.51 -2.00 320.54 0.00e+00 2.551082e-03 2.713163e-04 1.819835e-03 -6.000000e+00 7.775352e-03 280.79 -2.00 20.00 -2.00 319.96 0.00e+00 5.051 0.002 302.00 328.00 3 3.2409e-01 2.0572e-03 6.1097e-02 -6.0000e+00 4.2771e-01 7.1240e-02 2.6665e-03 3.6643e-02 -6.0000e+00 4.6539e-01 -4.5004e-02 2.5977e-03 1.7321e-02 -6.0000e+00 2.7808e-01 7.4166e-03 1.2907e-03 5.9395e-03 -6.0000e+00 1.1737e-01 1.2626e-03 -2.1035e-03 3.5913e-05 6.6713e-05 -6.0000e+00 8.9108e-03 -4.0661e-03 -7.3903e-05 11 8 0 10 0 0 -0.65 22.85 0.23 -0.00407 -0.01987 245 46 1 5 0 197.200 25.68 20.00 22.85 18.16 30.6 1007.92 -56019 -111025 78270 -153890 -69969 -105064 -94834 -30319 -90460 -78357 -122035 -73833 -95054 -30514 -11211 -12356 -44505 -13615 20863 3282 -8037 -15633 -4544 -27152 -8030 -21999 12584 -18357 -13070 -26719 -8221 -1553 -562 -8231 -5954 15988 -2641 -3671 3019 1350 -2424 -410 -4109 -1303 -700 4365 -1520 1376 4219 2628 1333 436 419 2964 2794 903 1977 221 1278 1028 1438 2619 2273 1252 1100 153 2116 1380 2132 1496 -244 41 113 -975 273 -941 1621 1352 1417 119 101 -2 -1370 -1086 -1620 -1033 -1257 -744 -865 -493 -193 573 534 1403 1362 1088 393 490 -158 -724 -304 -327 360 1088 -38 -1283 -816 -845 -65 131 -119 -612 -286 -53 34 872 1062 894 322 -403 -797 -618 -28 -101 -26 -20 471 1498 938 78 275 86 415 261 257 -450 -265 96 -453 -538 -171 53 200 122 -252 -1048 123 -2298 -472 -980 -842 -160 -996 -845 -2023 -929 -1664 -394 -152 -208 -1104 -279 363 67 -192 -412 -111 -895 -240 -813 341 -677 -456 -1120 -326 -69 -29 -514 -373 797 -166 -269 233 128 -277 -51 -567 -182 -100 605 -229 208 650 438 246 84 90 682 693 241 544 63 357 282 395 753 733 430 415 60 807 531 864 685 -128 22 62 -525 145 -462 707 567 620 60 56 -1 -1011 -819 -1311 -885 -1082 -666 -792 -444 -176 487 427 1087 1108 997 395 537 -196 -917 -382 -405 401 1187 -43 -1453 -975 -1069 -84 183 -177 -959 -470 -88 54 1365 1602 1356 511 -649 -1329 -1022 -44 -162 -40 -30 674 2178 1360 127 479 157 773 513 514 -964 -573 212 -1022 -1208 -370 113 417 248 SS 20211113T125819.2Z 7987.540500 113 1 47.92 2 78.06 126.97 149.79 8.99 0.00 1 0.00 1 0 25 1.803e-01 6.715e-03 3.732e-02 1.004e-03 6.085991e-01 5.263841e-04 7.123791e-03 -6.000000e+00 1.049895e-01 223.44 -2.00 3.51 -2.00 320.24 0.00e+00 2.428438e-03 1.924129e-04 1.426019e-03 -6.000000e+00 4.693381e-03 280.79 -2.00 20.00 -2.00 319.64 0.00e+00 4.685 0.002 302.00 328.00 3 2.9497e-01 1.5661e-03 5.6565e-02 -6.0000e+00 2.5819e-01 6.2127e-02 1.9682e-03 3.3466e-02 -6.0000e+00 2.8093e-01 -3.4650e-02 1.8378e-03 1.6014e-02 -6.0000e+00 1.6786e-01 3.6263e-03 9.3137e-04 5.4008e-03 -6.0000e+00 7.0856e-02 1.9113e-03 -1.9839e-03 2.8854e-05 6.1490e-05 -6.0000e+00 5.3785e-03 -4.4756e-03 -5.9999e-05 11 8 0 10 0 0 7.21 22.85 0.24 -0.00448 -0.01938 303 57 1 5 0 158.110 25.68 20.00 22.85 19.10 30.5 1012.04 -47097 -62129 22796 -102498 -41353 -70280 -58106 -29476 -45177 -44303 -73071 -41590 -54942 -14334 -3023 899 -30552 4814 137 -2340 -6296 -7391 -2838 -12507 -4448 -14699 4629 -13609 -5418 -17280 -4385 -1020 56 -5991 -3803 4918 -5609 -617 858 821 -3080 -952 -3426 -1759 -128 2173 -1718 851 2113 2315 1638 719 1324 1792 2114 1278 1306 -41 333 403 997 2630 2074 994 397 466 1499 1016 1970 1233 57 -284 -330 -1100 -137 -597 723 785 1536 217 0 -266 -1727 -1282 -1567 -1098 -1094 -499 -605 -433 -179 543 651 1545 1596 1136 815 768 -183 -691 -354 -429 607 1047 -165 -1149 -587 -781 -111 134 -208 -566 -207 -72 151 751 1046 1008 333 -521 -939 -579 -68 -250 -6 -20 427 1496 966 -16 208 44 359 204 117 -430 -127 151 -424 -428 -161 -23 51 288 -306 -564 97 -1551 -324 -713 -548 -236 -483 -517 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