Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dfd100bc75593a2b2c04eb1d8c68985f",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 78.018,
"b": 78.018,
"c": 101.536,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.470,2.248],
"number_observations_unique": 15503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 31.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 25.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 31343,
"number_observations_unique": 1344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.800
},
{
"type": "R(meas)",
"value": 0.818
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 23.300
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [48.470,8.990],
"number_observations": 6478,
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 95.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 21.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}