Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07cc82f71f1e0739a8f6768f16af2551",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.015,
"b": 91.149,
"c": 58.716,
"alpha": 90.00,
"beta": 99.58,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.92,2.000],
"number_observations_unique": 38534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 10481,
"number_observations_unique": 2656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.617
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [48.870,8.930],
"number_observations": 1819,
"number_observations_unique": 474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 29.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}