Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "92f601d7d57fffde82eb4752b85bb631",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.03,
"b": 52.76,
"c": 44.57,
"alpha": 90.0,
"beta": 102.5,
"gamma": 90.0
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.610,2.250],
"number_observations": 40647,
"number_observations_unique": 12065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.407
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.250],
"number_observations": 3573,
"number_observations_unique": 1080,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.445
},
{
"type": "R(meas)",
"value": 3.016
},
{
"type": "R(pim)",
"value": 1.727
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.061
}
]
},
{
"resolution_limits": [54.610,9.010],
"number_observations": 783,
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}