Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ab5acaa642a471e9b5cdfcd3aba4265",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.721,
"b": 46.224,
"c": 63.327,
"alpha": 90.00,
"beta": 112.58,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.220,1.460],
"number_observations": 176660,
"number_observations_unique": 54630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations": 12101,
"number_observations_unique": 4026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.902
},
{
"type": "R(meas)",
"value": 1.100
},
{
"type": "R(pim)",
"value": 0.621
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.507
}
]
},
{
"resolution_limits": [54.220,6.530],
"number_observations": 2136,
"number_observations_unique": 658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}