Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ad58d9045105742aeb84c8f2a1f04b9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.762,
"b": 71.326,
"c": 57.344,
"alpha": 90.00,
"beta": 107.66,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.740,2.050],
"number_observations": 77729,
"number_observations_unique": 27444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"number_observations": 3627,
"number_observations_unique": 1832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "R(meas)",
"value": 0.547
},
{
"type": "R(pim)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [59.740,9.170],
"number_observations": 893,
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 94.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}