Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8fa0a6e34defb7904e4f9fdb0448bd2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.940,
"b": 52.891,
"c": 44.543,
"alpha": 90.00,
"beta": 103.07,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.050,1.580],
"number_observations": 120891,
"number_observations_unique": 34080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 4832,
"number_observations_unique": 1680,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.126
},
{
"type": "R(meas)",
"value": 1.401
},
{
"type": "R(pim)",
"value": 0.814
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
},
{
"resolution_limits": [55.050,8.510],
"number_observations": 890,
"number_observations_unique": 246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}