Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4beedb3ead9d3be917cd02a67b863b28",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 70.28,
"b": 88.23,
"c": 96.75,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.290,2.980],
"number_observations": 78659,
"number_observations_unique": 6399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [3.060,2.980],
"number_observations": 5854,
"number_observations_unique": 452,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.195
},
{
"type": "R(meas)",
"value": 1.244
},
{
"type": "R(pim)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [30.290,13.330],
"number_observations": 534,
"number_observations_unique": 82,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}