Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c603e19bee9e0648d7e2eebb329bb9e4",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 63.198,
"b": 74.809,
"c": 118.699,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93340],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.290,2.190],
"number_observations": 49611,
"number_observations_unique": 14784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.190],
"number_observations": 3240,
"number_observations_unique": 1255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "R(meas)",
"value": 0.646
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.699
}
]
},
{
"resolution_limits": [63.290,9.030],
"number_observations": 683,
"number_observations_unique": 243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 37.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}