Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1dacd589c2291141f28136f70e1dbfe0",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 124.749,
"b": 124.749,
"c": 223.255,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.07000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49,2.400],
"number_observations": 398620,
"number_observations_unique": 40713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 14.790
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.8
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.400],
"number_observations": 27790,
"number_observations_unique": 2909,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.581
},
{
"type": "R(meas)",
"value": 1.672
},
{
"type": "I/SigI",
"value": 1.690
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [2.530,2.460],
"number_observations": 27499,
"number_observations_unique": 2865,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.278
},
{
"type": "R(meas)",
"value": 1.351
},
{
"type": "I/SigI",
"value": 2.110
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.600,2.530],
"number_observations": 26211,
"number_observations_unique": 2812,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.039
},
{
"type": "R(meas)",
"value": 1.099
},
{
"type": "I/SigI",
"value": 2.540
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.680,2.600],
"number_observations": 25961,
"number_observations_unique": 2708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.841
},
{
"type": "R(meas)",
"value": 0.889
},
{
"type": "I/SigI",
"value": 3.210
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.770,2.680],
"number_observations": 27581,
"number_observations_unique": 2674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.694
},
{
"type": "R(meas)",
"value": 0.730
},
{
"type": "I/SigI",
"value": 3.950
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations": 26593,
"number_observations_unique": 2547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "R(meas)",
"value": 0.564
},
{
"type": "I/SigI",
"value": 5.010
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.980,2.870],
"number_observations": 25646,
"number_observations_unique": 2477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(meas)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 6.410
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.100,2.980],
"number_observations": 24562,
"number_observations_unique": 2396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 8.240
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.240,3.100],
"number_observations": 23330,
"number_observations_unique": 2299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 11.080
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.390,3.240],
"number_observations": 21843,
"number_observations_unique": 2200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 14.580
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.580,3.390],
"number_observations": 20007,
"number_observations_unique": 2103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.790,3.580],
"number_observations": 18193,
"number_observations_unique": 2002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 23.340
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.060,3.790],
"number_observations": 17861,
"number_observations_unique": 1876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 26.880
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.380,4.060],
"number_observations": 18169,
"number_observations_unique": 1759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 33.510
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.800,4.380],
"number_observations": 16684,
"number_observations_unique": 1653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 37.090
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.370,4.800],
"number_observations": 14621,
"number_observations_unique": 1478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 34.750
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.200,5.370],
"number_observations": 12858,
"number_observations_unique": 1346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 32.670
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.590,6.200],
"number_observations": 9661,
"number_observations_unique": 1132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 34.120
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [10.730,7.590],
"number_observations": 8715,
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 44.740
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [49,10.730],
"number_observations": 4835,
"number_observations_unique": 553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 47.530
},
{
"type": "Completeness",
"value": 97.000
}
]
}
]
}