Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d0995f8caaa0c8fd3069c04380c5e2c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.119,
"b": 71.119,
"c": 149.916,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.280,1.500],
"number_observations": 807675,
"number_observations_unique": 62776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 25.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.500],
"number_observations": 37829,
"number_observations_unique": 3083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.809
},
{
"type": "R(meas)",
"value": 0.844
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [29.280,8.060],
"number_observations": 5256,
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 71.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}