Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a027258cdcdb41d6ac226751c939aa1d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.499,
"b": 47.688,
"c": 70.287,
"alpha": 90.00,
"beta": 90.74,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.500,1.610],
"number_observations": 224191,
"number_observations_unique": 37571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.610],
"number_observations_unique": 5417,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.566
},
{
"type": "R(meas)",
"value": 1.717
},
{
"type": "R(pim)",
"value": 0.696
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
},
{
"resolution_limits": [44.500,5.110],
"number_observations_unique": 1267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}