Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dcb1b13c1bde4e283c6a87e100809f1b",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 64.805,
"b": 64.805,
"c": 226.763,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.350,2.630],
"number_observations": 171651,
"number_observations_unique": 17332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.630],
"number_observations": 20976,
"number_observations_unique": 2048,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.714
},
{
"type": "R(meas)",
"value": 1.803
},
{
"type": "R(pim)",
"value": 0.554
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [45.350,9.100],
"number_observations": 4108,
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 38.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}