Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c83697f3503b9cac7abcfd0783f8cee",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 74.581,
"b": 74.581,
"c": 508.887,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [127.220,1.500],
"number_observations": 1796831,
"number_observations_unique": 136052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 89595,
"number_observations_unique": 6600,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.180
},
{
"type": "R(meas)",
"value": 1.226
},
{
"type": "R(pim)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.654
}
]
},
{
"resolution_limits": [127.220,8.220],
"number_observations": 11236,
"number_observations_unique": 1087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 55.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}