Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc3701716fbdbb65c157a458970a4c06",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.485,
"b": 71.485,
"c": 150.545,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.4250,1.140],
"number_observations": 1223890,
"number_observations_unique": 121423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.140],
"number_observations": 928,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.774
},
{
"type": "R(meas)",
"value": 2.439
},
{
"type": "R(pim)",
"value": 1.666
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 10.300
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.149
}
]
},
{
"resolution_limits": [29.430,6.250],
"number_observations": 12953,
"number_observations_unique": 1033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 53.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}