File name: Pandora64s1_NewHavenCT_20250510_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250513T150823.8Z 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 v1.8.75 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250510_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: 20250510 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 20250510T145006.5Z 9261.618130 343 1 5.95 2 34.48 124.12 151.65 347.28 0.00 1 0.00 1 0 17 1.308e-02 8.874e-03 4.715e-03 2.936e-03 1.970800e-01 1.601142e-03 2.394996e-03 -6.000000e+00 7.989618e-03 230.68 -2.00 3.52 -2.00 315.34 0.00e+00 3.968410e-04 1.459320e-04 2.714090e-05 -6.000000e+00 3.488879e-04 282.85 -2.00 20.00 -2.00 314.72 0.00e+00 1.212 0.000 302.00 328.00 3 4.7352e+00 4.1373e-03 1.6024e-02 -6.0000e+00 1.9982e-02 2.9464e-02 4.5764e-03 1.0246e-02 -6.0000e+00 2.1559e-02 -6.7468e-04 2.6183e-03 5.0007e-03 -6.0000e+00 1.2813e-02 -3.3360e-03 1.1601e-03 1.4051e-03 -6.0000e+00 5.4133e-03 1.0955e-03 2.4928e-04 9.0474e-05 1.9170e-05 -6.0000e+00 3.8921e-04 -5.1017e-04 4.4141e-05 12 9 1 12 1 1 99.97 21.26 0.17 -0.00051 0.00136 5 12 1 5 0 991.030 25.68 19.99 21.26 20.84 40.3 1016.80 2042 -802 1239 -3543 -6901 -923 738 1559 2443 339 -3631 -184 -71 -355 547 1247 -486 220 568 2255 1316 -233 1048 1235 33 1543 105 -727 -448 880 408 1116 1578 -570 -5816 -1646 -2991 -247 -213 664 -1292 -731 -1102 -1371 -928 354 -1306 731 -1156 -36 1062 1328 1656 1355 11 475 982 129 25 536 311 1404 1705 1375 703 -1370 -511 -1280 673 1382 623 257 240 514 450 -394 -453 -1919 -342 -658 -831 -914 -1899 -2186 -433 -497 -105 -298 838 145 875 321 -827 -55 1504 860 -115 1234 856 -505 -651 -1681 -1642 491 608 -1636 -204 -534 -294 334 853 -38 309 177 -40 -256 156 -37 470 349 -315 -191 643 113 1180 1006 -1426 725 590 245 502 -200 -521 -269 162 -11 -447 455 290 -594 -165 -567 560 -234 351 -944 -1839 -233 196 431 721 104 -1132 -59 -25 -134 227 541 -208 97 256 1031 607 -108 499 612 17 801 54 -346 -202 412 192 546 819 -294 -2972 -846 -1661 -149 -145 481 -1007 -585 -870 -1078 -725 280 -1016 543 -854 -27 825 1082 1350 1154 9 421 872 114 22 473 277 1326 1639 1365 666 -1258 -461 -1158 632 1374 636 270 247 522 435 -359 -383 -1607 -305 -628 -841 -971 -2062 -2516 -510 -600 -132 -368 1042 176 1005 351 -879 -58 1623 985 -141 1560 1103 -632 -792 -1935 -1929 585 750 -2077 -268 -710 -409 471 1227 -54 425 232 -50 -321 193 -48 631 477 -435 -259 868 150 1478 1240 -1735 893 746 325 669 -272 -707 -382 236 -16 -669 689 436 -875 -242 -814 SS 20250510T150755.0Z 9261.630498 352 1 3.82 2 31.81 130.15 152.17 356.05 0.00 1 0.00 1 0 17 1.099e-02 8.421e-03 1.930e-03 1.327e-03 1.872773e-01 7.250859e-04 2.279607e-03 -6.000000e+00 6.711457e-03 230.68 -2.00 3.52 -2.00 314.93 0.00e+00 3.284066e-04 6.097844e-05 2.171424e-05 -6.000000e+00 2.931078e-04 282.86 -2.00 20.00 -2.00 314.34 0.00e+00 1.176 0.000 302.00 328.00 3 2.9755e+00 1.8657e-03 1.5398e-02 -6.0000e+00 1.6785e-02 1.1265e-02 2.0590e-03 9.7223e-03 -6.0000e+00 1.8112e-02 2.5334e-03 1.1782e-03 4.7451e-03 -6.0000e+00 1.0764e-02 -4.0492e-03 5.1455e-04 1.3253e-03 -6.0000e+00 4.5460e-03 6.7747e-03 -4.9170e-05 4.0716e-05 1.8967e-05 -6.0000e+00 3.2703e-04 3.6567e-04 -5.5523e-06 12 9 1 12 1 1 97.21 21.22 0.18 0.00037 -0.00000 16 52 1 5 0 224.320 25.68 20.00 21.22 22.10 40.0 1022.94 835 -326 611 -1960 -4926 -990 -249 794 1521 18 -3174 -1109 67 46 1041 676 -1009 795 360 1520 1210 -348 1125 977 686 1171 525 -1257 -605 268 1812 -284 2470 -407 -4256 -2496 -1411 -887 550 287 -1017 -1180 -692 -1189 -216 43 -458 -312 -705 -377 1426 1161 807 1058 185 789 997 524 362 312 517 1205 1070 2376 197 -1333 -660 -1760 712 1654 458 415 -301 667 217 -713 -700 -1768 -175 -379 -1104 -831 -2086 -2070 -402 -461 -87 91 860 421 244 403 -710 43 1086 496 -80 1367 483 -353 -295 -1467 -1639 164 339 -1317 -292 -677 -333 316 779 237 331 212 -242 -291 584 -22 507 206 -40 -298 674 120 1067 887 -756 648 1017 328 604 -490 -619 -445 474 -251 -471 232 175 -478 94 -824 280 -114 210 -618 -1465 -284 -76 266 544 7 -1180 -428 26 20 465 319 -492 395 183 791 632 -183 605 515 374 646 281 -678 -307 135 945 -158 1332 -219 -2390 -1354 -847 -581 395 218 -828 -944 -563 -966 -173 36 -370 -244 -541 -292 1149 936 681 927 166 714 908 474 325 283 468 1159 1040 2343 189 -1238 -610 -1632 674 1638 464 430 -308 676 212 -668 -606 -1510 -158 -364 -1118 -872 -2317 -2330 -460 -559 -105 111 1074 497 277 435 -752 45 1161 557 -95 1726 600 -441 -347 -1702 -1884 199 420 -1658 -383 -889 -457 436 1096 327 447 274 -304 -352 716 -29 675 277 -55 -399 904 153 1343 1064 -925 807 1283 419 797 -662 -826 -621 669 -370 -685 342 255 -708 135 -1160 SS 20250510T152149.0Z 9261.640150 359 1 48.36 2 29.89 135.41 152.24 3.01 0.00 1 0.00 1 0 17 1.071e-02 7.975e-03 7.417e-04 4.332e-04 1.829468e-01 2.347539e-04 2.207967e-03 -6.000000e+00 6.543382e-03 230.68 -2.00 3.52 -2.00 315.60 0.00e+00 3.250983e-04 2.271718e-05 4.756254e-05 -6.000000e+00 2.857396e-04 282.86 -2.00 20.00 -2.00 314.95 0.00e+00 1.153 0.000 302.00 328.00 3 3.0835e+00 6.0812e-04 1.5062e-02 -6.0000e+00 1.6365e-02 1.4632e-02 6.7374e-04 9.4800e-03 -6.0000e+00 1.7657e-02 4.8270e-03 3.8574e-04 4.6202e-03 -6.0000e+00 1.0494e-02 -6.3284e-03 1.7248e-04 1.2844e-03 -6.0000e+00 4.4332e-03 6.2681e-03 2.4549e-04 1.3424e-05 1.7520e-05 -6.0000e+00 3.1878e-04 -7.1119e-04 1.8199e-05 11 8 0 10 0 0 100.00 21.21 0.23 -0.00071 0.00113 882 212 1 5 0 54.820 25.68 19.99 21.21 21.97 40.5 1023.04 906 -889 453 -2910 -3965 -961 102 1420 1574 666 -2851 -1128 69 -87 802 560 -1059 674 292 1712 906 -322 816 948 245 1143 366 -850 -482 562 1615 270 2464 -319 -4329 -1963 -1795 -1055 135 -31 -1218 -1206 -462 -1125 -424 -63 -780 -221 -784 -261 1235 454 838 1307 165 840 1109 567 162 463 715 1262 1243 2114 454 -1384 -436 -1670 857 1532 292 352 -83 592 172 -735 -945 -2087 -465 -355 -1084 -721 -2037 -1915 -353 -317 189 218 906 452 389 328 -933 -49 867 264 17 1263 649 -381 -440 -1574 -1675 266 314 -1321 -226 -740 -146 469 878 402 247 15 -359 -242 410 -327 612 479 46 -178 603 -97 883 676 -1021 428 754 304 408 -568 -747 -285 486 -50 -380 480 213 -367 62 -792 226 -233 116 -690 -948 -224 25 383 419 181 -784 -323 22 -30 306 226 -440 286 127 757 404 -144 375 453 122 528 178 -387 -207 239 714 126 1198 -155 -2054 -954 -898 -611 91 -22 -910 -929 -361 -879 -328 -48 -577 -158 -549 -184 909 353 677 1095 142 728 966 491 139 403 649 1136 1183 2050 424 -1288 -383 -1474 756 1485 302 373 -87 588 157 -655 -780 -1700 -402 -339 -1069 -769 -2158 -2142 -419 -398 232 271 1104 553 438 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