File name: Pandora55s1_QueensNY_20240906_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240907T045845.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240906_L1_smca1c18d20230426p1-8.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: 20240906 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 20240906T140810.3Z 9015.589008 164 1 6.24 2 50.56 121.77 87.05 106.86 0.00 1 0.00 1 0 17 1.440e-02 7.794e-03 7.147e-03 4.118e-03 2.134337e-01 2.178483e-03 2.581130e-03 -6.000000e+00 8.614283e-03 229.91 -2.00 3.51 -2.00 315.63 0.00e+00 3.280804e-04 2.175199e-04 9.454427e-05 -6.000000e+00 3.873421e-04 288.58 -2.00 20.00 -2.00 314.89 0.00e+00 1.571 0.000 302.00 328.00 3 4.4944e+00 5.6362e-03 1.9226e-02 -6.0000e+00 2.1449e-02 2.5083e-02 6.2648e-03 1.1049e-02 -6.0000e+00 2.3173e-02 2.7076e-03 3.5821e-03 5.3808e-03 -6.0000e+00 1.3845e-02 -3.6861e-03 1.6000e-03 1.5336e-03 -6.0000e+00 5.8324e-03 9.5911e-04 -2.4826e-04 1.2611e-04 2.1201e-05 -6.0000e+00 4.2985e-04 -7.9510e-04 0.0000e+00 12 9 1 12 33 1 999.00 22.53 0.39 -0.00080 -0.00266 2 5 1 5 0 2078.540 26.21 20.01 22.53 26.32 37.8 1054.85 -1965 -4714 3313 -8167 1259 -1374 2271 5359 714 -2431 -1478 -1360 -1986 1176 2296 -1097 -2889 -18 1951 2722 -501 1850 2197 -1439 651 -813 2758 -1305 1027 -31 1035 -228 1223 -981 -2075 3006 892 406 515 -237 -1648 -348 -1793 -1322 -1511 144 -1307 -354 295 904 1166 335 606 1040 1046 306 1495 1257 1401 1491 1126 1078 288 -396 46 -533 -479 107 930 1000 -264 -526 -552 -987 -388 -449 174 715 1506 -905 -1049 -679 -2173 -1040 -837 -550 9 -974 -756 -280 279 242 -344 1014 1176 989 253 759 -386 -554 -206 -606 212 944 442 -373 85 -77 -199 -105 294 -652 -463 -84 -253 199 534 1064 1016 431 -798 -138 -281 -173 80 162 615 853 865 265 800 139 441 95 243 -572 -52 241 -663 -226 -104 -646 -531 253 -470 -1252 849 -2234 298 -312 504 1244 188 -689 -421 -389 -599 377 803 -422 -1175 -7 805 1142 -219 802 951 -654 303 -393 1308 -623 462 -13 449 -104 580 -487 -1029 1400 427 210 299 -154 -1162 -255 -1356 -1010 -1158 109 -991 -263 214 648 841 250 471 830 858 256 1259 1064 1183 1248 950 931 261 -374 44 -509 -437 94 802 902 -255 -532 -571 -1020 -390 -434 158 612 1253 -786 -973 -668 -2269 -1118 -927 -631 11 -1201 -945 -349 339 283 -381 1063 1214 1052 284 901 -483 -714 -263 -751 251 1092 522 -459 108 -101 -266 -145 414 -946 -673 -120 -346 260 674 1332 1302 574 -1107 -194 -395 -240 108 214 789 1064 1075 339 1056 189 609 132 346 -840 -79 369 -1030 -352 -162 -989 -795 373 SS 20240906T141317.0Z 9015.592557 167 1 50.50 2 49.75 123.04 86.16 107.70 0.00 1 0.00 1 0 25 9.411e-03 6.235e-03 2.030e-03 9.445e-04 2.101699e-01 4.956063e-04 2.553741e-03 -6.000000e+00 5.631259e-03 229.91 -2.00 3.51 -2.00 316.38 0.00e+00 -3.893026e-05 5.799051e-05 3.927090e-05 -6.000000e+00 2.532019e-04 288.58 -2.00 20.00 -2.00 315.58 0.00e+00 1.544 0.000 302.00 328.00 3 3.7805e+00 1.2946e-03 1.8956e-02 -6.0000e+00 1.4022e-02 1.0638e-02 1.4448e-03 1.0951e-02 -6.0000e+00 1.5148e-02 7.1230e-03 8.3195e-04 5.3407e-03 -6.0000e+00 9.0503e-03 -6.0340e-03 3.8320e-04 1.4730e-03 -6.0000e+00 3.8130e-03 2.0345e-03 -2.8450e-04 2.9256e-05 1.9919e-05 -6.0000e+00 2.8097e-04 -1.3352e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.53 0.24 -0.00134 -0.00347 357 67 1 5 0 141.420 26.21 19.98 22.53 26.45 37.9 1055.44 -1348 -2565 -650 -4129 -1540 352 922 3586 1248 -167 -1180 501 519 888 1919 -481 -1021 -913 1165 710 -1040 317 1651 162 337 -215 426 -1016 -120 567 978 1824 1280 -1065 -723 1046 -59 257 776 -445 -1374 -856 -1395 -1336 -1120 -408 -1477 -753 -481 411 588 781 479 1074 819 814 1095 387 1012 775 1600 1441 1219 349 -597 -464 283 83 1372 955 -127 -242 -339 -498 -563 -264 328 705 1161 425 -62 -334 -1331 -1105 -1170 -977 -694 -490 -624 -530 -303 97 332 1242 1270 1178 724 680 -260 -474 -467 -392 -43 799 79 -686 -253 -785 -97 85 19 -282 -163 -191 -204 459 765 768 712 -6 -582 -410 -107 -125 68 169 326 1368 1031 330 519 -6 190 111 254 -311 -84 181 -381 -523 -203 -274 -167 51 -240 -503 -129 -826 -280 58 154 632 248 -36 -257 108 118 222 528 -147 -329 -302 389 244 -371 113 583 59 129 -86 171 -402 -45 201 346 670 500 -440 -295 407 -23 112 388 -255 -868 -571 -959 -933 -783 -283 -1023 -509 -318 267 384 529 340 791 624 631 863 309 799 608 1258 1165 1038 315 -555 -425 244 68 1107 817 -118 -238 -342 -501 -551 -246 282 564 902 343 -54 -316 -1350 -1168 -1284 -1124 -833 -609 -791 -670 -373 113 363 1273 1282 1229 804 809 -330 -623 -609 -490 -52 925 94 -857 -329 -1051 -133 121 27 -426 -247 -283 -289 613 982 979 931 -8 -835 -602 -156 -180 95 229 427 1728 1302 431 705 -9 271 160 377 -476 -132 292 -625 -866 -334 -442 -262 80 SS 20240906T141836.3Z 9015.596254 170 1 50.41 2 48.91 124.39 85.24 108.59 0.00 1 0.00 1 0 25 8.654e-03 6.345e-03 1.045e-03 5.851e-04 2.064140e-01 3.089108e-04 2.515774e-03 -6.000000e+00 5.177865e-03 229.91 -2.00 3.51 -2.00 315.75 0.00e+00 1.565392e-05 3.154614e-05 3.792618e-05 -6.000000e+00 2.328190e-04 288.58 -2.00 20.00 -2.00 315.00 0.00e+00 1.519 0.000 302.00 328.00 3 3.0986e+00 8.0054e-04 1.8620e-02 -6.0000e+00 1.2893e-02 1.5464e-02 8.9032e-04 1.0732e-02 -6.0000e+00 1.3929e-02 2.7678e-03 5.0938e-04 5.2379e-03 -6.0000e+00 8.3217e-03 -4.2611e-03 2.2845e-04 1.4474e-03 -6.0000e+00 3.5059e-03 4.1545e-03 -2.7232e-04 1.7956e-05 2.0321e-05 -6.0000e+00 2.5836e-04 -1.0953e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.53 0.19 -0.00110 -0.00314 285 54 1 5 0 176.860 26.21 19.98 22.53 26.61 37.9 1056.39 -1141 -2085 -2091 -3972 -1483 -549 801 1631 1248 -1249 -341 718 753 650 1102 -223 -560 191 597 903 -538 984 978 751 472 194 -344 -878 210 1033 1407 1691 1519 -1202 -549 303 309 173 709 -516 -1171 -992 -1306 -1053 -956 -400 -1268 -649 -659 556 629 622 696 824 631 415 937 306 809 785 1427 1249 1265 378 -618 -316 -84 210 1249 936 -15 -154 -601 -477 -649 -255 134 529 1230 294 12 -671 -1370 -1264 -1016 -978 -720 -414 -411 -669 -179 217 257 1210 1334 1286 694 769 -262 -455 -388 -562 -36 789 165 -769 -306 -864 -150 42 -56 -342 -243 -106 -71 529 741 837 700 12 -639 -310 -180 -187 199 248 413 1301 1059 423 579 -31 193 76 314 -358 -226 142 -425 -424 -258 -228 -291 48 -261 -524 -537 -1014 -345 -118 173 377 315 -341 -93 195 213 201 374 -83 -217 75 241 371 -227 416 415 325 213 91 -163 -409 93 433 590 736 694 -577 -260 138 143 87 400 -328 -815 -721 -972 -795 -723 -302 -953 -475 -476 392 449 458 530 648 512 344 785 259 679 651 1192 1070 1126 355 -597 -299 -76 181 1057 835 -15 -155 -618 -491 -651 -243 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