Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a0cf23db266f92ed3f24d361bb99825",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 125.210,
"b": 125.210,
"c": 41.275,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.080,1.850],
"number_observations": 322350,
"number_observations_unique": 31944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 23237,
"number_observations_unique": 2311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.901
},
{
"type": "R(meas)",
"value": 0.950
},
{
"type": "R(pim)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [29.080,8.270],
"number_observations": 3698,
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 80.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}