Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed34c94962ac3663d9fbeab1e5b3456f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.984,
"b": 76.046,
"c": 106.342,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [106.340,2.050],
"number_observations": 88647,
"number_observations_unique": 24871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 5739,
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.571
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [106.340,8.930],
"number_observations": 1201,
"number_observations_unique": 375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 43.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}