Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0149e27bdebea3a3589e3680c5a3d434",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.589,
"b": 45.330,
"c": 83.178,
"alpha": 90.00,
"beta": 102.22,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.400,1.480],
"number_observations": 258171,
"number_observations_unique": 71937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.480],
"number_observations": 17664,
"number_observations_unique": 5085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.743
},
{
"type": "R(meas)",
"value": 0.878
},
{
"type": "R(pim)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [28.400,6.610],
"number_observations": 3173,
"number_observations_unique": 895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 51.800
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}