Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86e68975ce8080835b11f4270f58fb6a",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 40.449,
"b": 77.293,
"c": 82.366,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54184],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.330,2.200],
"number_observations_unique": 13669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 3025,
"number_observations_unique": 1247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [19.320,8.800],
"number_observations": 1002,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 26.900
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}