Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04f3f0fc0e08a4d735c362c4168c1af2",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 79.304,
"b": 79.304,
"c": 446.668,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [148.889,1.999],
"number_observations": 2060939,
"number_observations_unique": 112386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.033,1.999],
"number_observations": 58513,
"number_observations_unique": 5512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.780
},
{
"type": "R(meas)",
"value": 0.820
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [148.889,5.425],
"number_observations": 111338,
"number_observations_unique": 6165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}