Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5948cc37a40b6e5f5397c9a7d6b83de",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.493,
"b": 41.533,
"c": 110.868,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.290,1.050],
"number_observations": 291361,
"number_observations_unique": 60056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 80.200
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.050],
"number_observations": 885,
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 14.800
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [29.290,4.700],
"number_observations": 5308,
"number_observations_unique": 965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}