Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ca4ab57e43ba0b6501e2491357ab9ac",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.892,
"b": 27.018,
"c": 55.595,
"alpha": 90.00,
"beta": 99.44,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.390,1.320],
"number_observations": 69750,
"number_observations_unique": 25600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.320],
"number_observations": 6325,
"number_observations_unique": 3557,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.248
},
{
"type": "R(meas)",
"value": 1.680
},
{
"type": "R(pim)",
"value": 1.116
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.492
}
]
},
{
"resolution_limits": [40.390,4.170],
"number_observations": 3097,
"number_observations_unique": 972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 36.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}