File name: Pandora64s1_NewHavenCT_20230702_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230706T124552.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230702_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20230702 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20230702T165910.6Z 8583.707761 411 1 42.70 2 18.30 182.54 163.26 41.19 0.00 1 0.00 1 0 17 1.237e-02 8.811e-03 1.761e-03 1.292e-03 1.482203e-01 7.167772e-04 1.808698e-03 -6.000000e+00 7.635311e-03 232.95 -2.00 3.52 -2.00 314.57 0.00e+00 4.563566e-04 5.672463e-05 2.811955e-05 -6.000000e+00 3.376851e-04 288.09 -2.00 20.00 -2.00 313.94 0.00e+00 1.053 0.000 302.00 328.00 3 5.4010e+00 1.8494e-03 1.3203e-02 -6.0000e+00 1.9170e-02 4.1252e-02 2.0324e-03 7.8210e-03 -6.0000e+00 2.0618e-02 -3.3504e-03 1.1625e-03 3.7715e-03 -6.0000e+00 1.2268e-02 -1.6041e-03 5.0222e-04 1.0487e-03 -6.0000e+00 5.1959e-03 7.2982e-04 -3.7913e-05 3.9692e-05 1.5294e-05 -6.0000e+00 3.6824e-04 -1.0746e-02 9.0116e-05 12 9 1 12 1 1 99.99 21.83 0.12 -0.01075 -0.01103 30 8 1 5 0 1371.840 26.21 20.01 21.83 31.82 38.5 1068.12 1868 -116 1426 -2180 -7749 -1504 -355 1061 1775 278 -2662 -1285 412 -270 1401 672 -814 769 470 1316 1758 4 1712 910 523 956 467 -982 -277 191 1880 192 2058 273 -4323 -2293 -1747 -1131 -18 116 -1169 -1284 -375 -914 -691 12 -958 -186 -973 -753 919 1160 776 1399 251 602 1072 377 140 445 310 1282 1321 2206 778 -1284 -497 -1129 398 1508 520 543 -159 764 41 -899 -522 -2155 -1321 -477 -1287 -731 -1847 -2049 -473 -186 293 381 1035 624 164 293 -1194 -350 569 549 -274 1139 835 -463 -508 -1211 -1767 -333 302 -1410 -259 -199 -69 479 1101 578 325 -7 -161 -199 286 -513 422 527 120 -173 621 83 804 906 -937 539 697 142 579 -581 -591 -441 627 4 -389 313 210 -479 -132 -733 697 -45 544 -824 -2794 -504 -125 404 680 110 -1046 -516 179 -129 683 347 -429 411 256 732 975 2 963 535 317 586 279 -549 -153 103 1036 105 1167 154 -2380 -1279 -1075 -758 -13 91 -985 -1116 -330 -803 -602 10 -794 -155 -790 -612 771 967 674 1255 230 557 997 349 128 412 286 1247 1353 2201 783 -1195 -454 -1017 383 1520 536 575 -167 798 40 -831 -463 -1868 -1149 -454 -1290 -756 -2022 -2267 -556 -221 364 481 1284 765 185 316 -1251 -360 614 615 -322 1372 1028 -578 -600 -1409 -2034 -386 374 -1769 -337 -258 -93 671 1510 808 429 -9 -196 -233 339 -642 540 711 159 -234 815 103 991 1062 -1116 647 842 180 755 -743 -770 -598 858 5 -549 448 300 -696 -186 -1016 SS 20230702T170422.3Z 8583.711369 415 1 11.02 2 18.38 186.33 162.64 44.21 0.00 1 0.00 1 0 17 1.243e-02 8.727e-03 3.161e-03 2.378e-03 1.461087e-01 1.319935e-03 1.803139e-03 -6.000000e+00 7.671442e-03 232.95 -2.00 3.52 -2.00 314.43 0.00e+00 3.481180e-04 1.019975e-04 2.736909e-05 -6.000000e+00 3.392560e-04 288.09 -2.00 20.00 -2.00 313.83 0.00e+00 1.054 0.000 302.00 328.00 3 5.1982e+00 3.3994e-03 1.3163e-02 -6.0000e+00 1.9261e-02 4.4367e-02 3.7335e-03 7.7527e-03 -6.0000e+00 2.0715e-02 -2.1560e-03 2.1358e-03 3.7483e-03 -6.0000e+00 1.2326e-02 -2.7367e-03 9.2080e-04 1.0344e-03 -6.0000e+00 5.2209e-03 8.9751e-04 1.7265e-05 7.2770e-05 1.5609e-05 -6.0000e+00 3.6993e-04 -1.1520e-02 8.7741e-05 12 9 1 12 9 1 99.97 21.83 0.10 -0.01152 -0.01139 7 9 1 5 0 1353.900 26.21 19.98 21.83 32.06 38.6 1069.67 2722 -297 27 -2855 -7458 -879 335 643 966 1818 -3994 -341 999 -409 1355 1086 -439 1428 247 1660 714 474 640 1797 -218 1086 391 -633 -554 727 1229 666 2129 53 -4674 -2114 -1622 -1242 -633 361 -1215 -829 -557 -729 -342 224 -1042 -25 -613 -793 999 892 162 983 149 819 752 353 263 504 365 1192 1228 2173 913 -1080 -416 -1317 513 1594 535 623 -286 141 272 -946 -661 -2074 -949 -318 -1102 -1028 -1662 -1844 -6 -484 160 183 1193 267 178 126 -562 -689 1021 255 210 1011 949 -290 -356 -1122 -1799 -50 368 -1552 -241 -392 -169 213 961 525 313 486 -143 -611 219 -317 270 368 322 -127 496 92 567 944 -1020 796 1025 266 378 -316 -708 -406 151 -186 -612 556 110 -134 -298 -448 1062 -123 11 -1133 -2796 -305 122 257 393 746 -1675 -143 453 -196 699 590 -244 801 142 928 404 278 367 1057 -134 672 236 -373 -305 390 679 381 1271 31 -2718 -1239 -1001 -846 -481 293 -1058 -712 -487 -634 -294 196 -890 -20 -506 -658 819 767 145 875 135 748 692 323 238 460 347 1155 1253 2257 913 -1036 -374 -1218 485 1594 552 660 -301 147 273 -897 -573 -1824 -841 -297 -1093 -1105 -1815 -2050 -7 -587 194 227 1497 319 203 135 -579 -703 1085 286 247 1234 1181 -352 -421 -1299 -2064 -58 442 -1972 -307 -518 -225 295 1349 723 420 620 -175 -720 260 -383 350 485 430 -168 636 116 702 1110 -1209 947 1236 325 478 -406 -931 -537 203 -261 -881 785 156 -191 -416 -609 SS 20230702T172411.2Z 8583.725130 430 1 47.98 2 19.24 200.25 160.00 54.12 0.00 1 0.00 1 0 17 1.281e-02 8.764e-03 1.923e-03 1.354e-03 1.474369e-01 7.480963e-04 1.794186e-03 -6.000000e+00 7.901391e-03 232.95 -2.00 3.52 -2.00 314.79 0.00e+00 4.559376e-04 6.189036e-05 3.446128e-05 -6.000000e+00 3.494360e-04 288.09 -2.00 20.00 -2.00 314.15 0.00e+00 1.059 0.000 302.00 328.00 3 5.5183e+00 1.9320e-03 1.3217e-02 -6.0000e+00 1.9838e-02 4.5257e-02 2.1253e-03 7.7704e-03 -6.0000e+00 2.1336e-02 -9.1414e-04 1.2146e-03 3.7442e-03 -6.0000e+00 1.2695e-02 -2.8285e-03 5.2810e-04 1.0427e-03 -6.0000e+00 5.3772e-03 6.4521e-04 4.2963e-06 4.1699e-05 1.4933e-05 -6.0000e+00 3.8103e-04 -1.0891e-02 1.0132e-04 11 8 0 10 0 0 99.99 21.82 0.06 -0.01089 -0.01086 57 14 1 5 0 841.600 26.21 20.01 21.82 32.45 38.7 1072.02 1683 -726 1247 -2283 -8522 -1226 235 827 1661 665 -3224 -1178 -50 -574 1488 774 -573 900 608 1503 1569 231 1628 1017 539 929 698 -1020 -331 220 1859 -194 2549 164 -3861 -2709 -1327 -1644 122 -251 -978 -1078 -127 -936 -548 -197 -566 -571 -694 -934 1199 1024 793 1327 384 609 1132 550 158 388 550 1005 1000 1962 928 -1359 -265 -1229 463 1379 318 673 -112 630 58 -882 -397 -2457 -1152 -80 -1408 -533 -1895 -1950 -573 -365 312 351 870 694 24 367 -1259 -352 605 512 -190 1368 590 -457 -521 -1209 -2065 -143 293 -1295 -200 -349 -155 521 895 544 397 103 -480 -438 570 -356 426 462 167 -26 806 81 968 887 -878 527 812 -118 590 -633 -574 -379 620 15 -388 313 149 -515 -99 -846 576 -262 437 -794 -2848 -377 75 290 622 256 -1245 -462 -20 -253 703 387 -292 466 321 809 846 125 889 579 298 520 404 -554 -167 109 938 -103 1394 90 -2050 -1470 -788 -1067 86 -200 -827 -890 -106 -783 -479 -169 -469 -458 -538 -727 958 858 691 1196 334 536 1000 484 138 341 503 975 1023 1941 928 -1260 -242 -1111 423 1384 325 703 -116 656 56 -817 -336 -2038 -1001 -76 -1403 -571 -2047 -2219 -661 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