Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7e73df242bce50f53ad1b9c42a5dad34",
"space_group_name": "P 63",
"unit_cell": {
"a": 149.922,
"b": 149.922,
"c": 113.495,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91266],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [129.850,2.510],
"number_observations": 498397,
"number_observations_unique": 49227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.510],
"number_observations": 45147,
"number_observations_unique": 4345,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.995
},
{
"type": "R(meas)",
"value": 2.099
},
{
"type": "R(pim)",
"value": 0.650
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.395
}
]
},
{
"resolution_limits": [129.850,10.050],
"number_observations": 8757,
"number_observations_unique": 811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}