Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a42c14622b9a72496c59c6325cc6dbd9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 91.55,
"b": 98.12,
"c": 119.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.950],
"number_observations": 263766,
"number_observations_unique": 39384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 9.870
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 19901,
"number_observations_unique": 2893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.864
},
{
"type": "R(meas)",
"value": 0.935
},
{
"type": "I/SigI",
"value": 2.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations": 19139,
"number_observations_unique": 2778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.694
},
{
"type": "R(meas)",
"value": 0.751
},
{
"type": "I/SigI",
"value": 2.660
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 18691,
"number_observations_unique": 2760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.566
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 3.260
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.180,2.120],
"number_observations": 17516,
"number_observations_unique": 2648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "R(meas)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 3.920
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.250,2.180],
"number_observations": 16442,
"number_observations_unique": 2566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(meas)",
"value": 0.458
},
{
"type": "I/SigI",
"value": 4.250
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.330,2.250],
"number_observations": 14065,
"number_observations_unique": 2497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 4.980
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations": 15316,
"number_observations_unique": 2398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.520,2.420],
"number_observations": 16674,
"number_observations_unique": 2324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 7.450
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.630,2.520],
"number_observations": 16011,
"number_observations_unique": 2245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 8.760
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.760,2.630],
"number_observations": 15019,
"number_observations_unique": 2129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 9.650
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.910,2.760],
"number_observations": 14476,
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 12.190
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.080,2.910],
"number_observations": 13487,
"number_observations_unique": 1913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 13.810
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.300,3.080],
"number_observations": 12411,
"number_observations_unique": 1813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 15.830
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.560,3.300],
"number_observations": 11222,
"number_observations_unique": 1693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 18.020
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.900,3.560],
"number_observations": 10080,
"number_observations_unique": 1573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 19.910
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.360,3.900],
"number_observations": 8237,
"number_observations_unique": 1403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 21.180
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [5.030,4.360],
"number_observations": 8035,
"number_observations_unique": 1276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 23.080
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.170,5.030],
"number_observations": 7846,
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 23.780
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [8.720,6.170],
"number_observations": 5986,
"number_observations_unique": 846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 24.210
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [30,8.720],
"number_observations": 3212,
"number_observations_unique": 489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 25.980
},
{
"type": "Completeness",
"value": 96.400
}
]
}
]
}