Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb352840fa6331b54762d6075a3e5d12",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.537,
"b": 51.362,
"c": 79.054,
"alpha": 90.00,
"beta": 92.32,
"gamma": 90.00
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.500,1.4380],
"number_observations_unique": 64061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.440],
"number_observations": 18947,
"number_observations_unique": 2954,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.698
},
{
"type": "R(meas)",
"value": 1.846
},
{
"type": "R(pim)",
"value": 0.713
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.640
}
]
},
{
"resolution_limits": [44.500,7.740],
"number_observations": 2905,
"number_observations_unique": 449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}