Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6ef49edf51646906245d95a5f0dda82",
"space_group_name": "P 63",
"unit_cell": {
"a": 66.249,
"b": 66.249,
"c": 40.800,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.71260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.250,1.040],
"number_observations": 1976427,
"number_observations_unique": 48038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 41.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.040],
"number_observations": 32700,
"number_observations_unique": 1690,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.892
},
{
"type": "R(meas)",
"value": 2.970
},
{
"type": "R(pim)",
"value": 0.647
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 70.800
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.538
}
]
},
{
"resolution_limits": [33.250,5.710],
"number_observations": 13343,
"number_observations_unique": 328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 51.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 40.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}