Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d0bb5900fa2f93c9bbc1ac933b3609df",
"space_group_name": "P 1",
"unit_cell": {
"a": 36.69,
"b": 56.53,
"c": 68.04,
"alpha": 94.47,
"beta": 94.67,
"gamma": 108.83
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.330,1.520],
"number_observations_unique": 75017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"number_observations": 14673,
"number_observations_unique": 3744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(meas)",
"value": 0.775
},
{
"type": "R(pim)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [30.310,8.190],
"number_observations": 1601,
"number_observations_unique": 465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}