Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "405b15e3a7dcc95a7f5e5af2db5dc252",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 73.43,
"b": 95.41,
"c": 126.81,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.0],
"number_observations_unique": 60314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 7.65
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 4.95
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.05,2.00],
"number_observations_unique": 4425,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.283
},
{
"type": "R(meas)",
"value": 1.439
},
{
"type": "I/SigI",
"value": 1.34
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.14
},
{
"type": "CC(1/2)",
"value": 0.362
}
]
},
{
"resolution_limits": [2.11,2.05],
"number_observations_unique": 4344,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.142
},
{
"type": "R(meas)",
"value": 1.244
},
{
"type": "I/SigI",
"value": 1.58
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.11
},
{
"type": "CC(1/2)",
"value": 0.488
}
]
},
{
"resolution_limits": [2.17,2.11],
"number_observations_unique": 4192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.865
},
{
"type": "R(meas)",
"value": 0.924
},
{
"type": "I/SigI",
"value": 2.19
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.12
},
{
"type": "CC(1/2)",
"value": 0.618
}
]
},
{
"resolution_limits": [2.24,2.17],
"number_observations_unique": 4090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.91
},
{
"type": "R(meas)",
"value": 0.984
},
{
"type": "I/SigI",
"value": 2.62
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [2.31,2.24],
"number_observations_unique": 3970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "R(meas)",
"value": 0.622
},
{
"type": "I/SigI",
"value": 24.01
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [8.94,6.32],
"number_observations_unique": 1285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 28.16
},
{
"type": "Completeness",
"value": 93.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [70,8.94],
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}