Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9bd4d1afd51082f93e101a42f636c68c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 115.90,
"b": 82.41,
"c": 96.47,
"alpha": 90.0,
"beta": 115.5,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.064,2.700],
"number_observations_unique": 22260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.590
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 1.96
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.770,2.700],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 96.900
}
]
},
{
"resolution_limits": [2.850,2.770],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 2.950
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [2.930,2.850],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 3.420
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [3.020,2.930],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 3.940
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [3.120,3.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 4.680
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [3.230,3.120],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 5.440
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [3.350,3.230],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 6.330
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [3.490,3.350],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 7.940
},
{
"type": "Completeness",
"value": 95.100
}
]
},
{
"resolution_limits": [3.640,3.490],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 9.070
},
{
"type": "Completeness",
"value": 95.000
}
]
},
{
"resolution_limits": [3.820,3.640],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 10.210
},
{
"type": "Completeness",
"value": 94.900
}
]
},
{
"resolution_limits": [4.020,3.820],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 11.450
},
{
"type": "Completeness",
"value": 93.900
}
]
},
{
"resolution_limits": [4.270,4.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 12.480
},
{
"type": "Completeness",
"value": 93.700
}
]
},
{
"resolution_limits": [4.560,4.270],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 14.240
},
{
"type": "Completeness",
"value": 92.600
}
]
},
{
"resolution_limits": [4.930,4.560],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 14.840
},
{
"type": "Completeness",
"value": 90.500
}
]
},
{
"resolution_limits": [5.400,4.930],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 14.540
},
{
"type": "Completeness",
"value": 95.300
}
]
},
{
"resolution_limits": [6.040,5.400],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 13.740
},
{
"type": "Completeness",
"value": 95.200
}
]
},
{
"resolution_limits": [6.970,6.040],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 14.580
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [8.540,6.970],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 17.330
},
{
"type": "Completeness",
"value": 94.200
}
]
},
{
"resolution_limits": [12.070,8.540],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 21.060
},
{
"type": "Completeness",
"value": 93.600
}
]
},
{
"resolution_limits": [44.064,12.070],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 22.720
},
{
"type": "Completeness",
"value": 93.600
}
]
}
]
}