Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "40092d3c804f5f2ae7fb3a581eb277ea",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.35,
"b": 83.35,
"c": 133.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.360,2.030],
"number_observations": 700081,
"number_observations_unique": 35385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.030],
"number_observations": 51639,
"number_observations_unique": 2571,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.786
},
{
"type": "R(meas)",
"value": 1.832
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [35.360,9.080],
"number_observations": 6571,
"number_observations_unique": 452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 46.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}