Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07d4ba9757ca1f4fff85c4d1c91cb90b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.70,
"b": 196.39,
"c": 70.97,
"alpha": 90.00,
"beta": 105.66,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.840,3.000],
"number_observations": 73171,
"number_observations_unique": 28449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [3.160,3.000],
"number_observations": 10246,
"number_observations_unique": 4018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.677
},
{
"type": "R(pim)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 81.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [53.840,9.490],
"number_observations": 2672,
"number_observations_unique": 991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
}
]
}