Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d048ac2b29440c7d5cde7c07b0dc9cc7",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 105.443,
"b": 105.443,
"c": 105.443,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97623],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.780,2.090],
"number_observations_unique": 23431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 40.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.090],
"number_observations": 67518,
"number_observations_unique": 1780,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.796
},
{
"type": "R(meas)",
"value": 4.860
},
{
"type": "R(pim)",
"value": 0.787
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 37.900
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [52.720,9.110],
"number_observations": 11853,
"number_observations_unique": 325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.004
},
{
"type": "I/SigI",
"value": 118.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 36.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}