Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "888fcb6f3389c2a1780b339265e22c59",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.005,
"b": 85.923,
"c": 127.681,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.360,1.540],
"number_observations": 491831,
"number_observations_unique": 73648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.540],
"number_observations": 29248,
"number_observations_unique": 5075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.696
},
{
"type": "R(meas)",
"value": 0.767
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [29.360,6.880],
"number_observations": 5907,
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 56.800
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}