Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c78038141ccc6e4b44a7fdf76994149",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.423,
"b": 95.423,
"c": 45.869,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.340,1.290],
"number_observations": 567038,
"number_observations_unique": 51603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations": 8135,
"number_observations_unique": 2234,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.417
},
{
"type": "R(meas)",
"value": 1.656
},
{
"type": "R(pim)",
"value": 0.834
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.326
}
]
},
{
"resolution_limits": [41.340,7.060],
"number_observations": 4270,
"number_observations_unique": 347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 96.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}