Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5679ac0b7d684b731c5ce516ef8c4049",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.803,
"b": 52.599,
"c": 44.686,
"alpha": 90.00,
"beta": 102.94,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.440,1.550],
"number_observations": 119132,
"number_observations_unique": 36494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 3807,
"number_observations_unique": 1699,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.213
},
{
"type": "R(meas)",
"value": 1.539
},
{
"type": "R(pim)",
"value": 0.930
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.348
}
]
},
{
"resolution_limits": [54.440,8.480],
"number_observations": 911,
"number_observations_unique": 247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 23.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}