Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7663592a69e78bdcbd2da14486e3dd28",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.793,
"b": 128.580,
"c": 147.853,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.280,1.700],
"number_observations": 1831100,
"number_observations_unique": 123952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 6084,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.855
},
{
"type": "R(meas)",
"value": 2.957
},
{
"type": "R(pim)",
"value": 0.765
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.508
}
]
},
{
"resolution_limits": [49.280,9.310],
"number_observations_unique": 880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 54.4
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}