Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2172b9019be9ea81a6bef6e424a8435b",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.589,
"b": 71.589,
"c": 150.587,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.460,1.290],
"number_observations": 1078970,
"number_observations_unique": 98157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations": 15549,
"number_observations_unique": 4126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(meas)",
"value": 0.634
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [29.460,7.070],
"number_observations": 8068,
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
}
]
}