Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad7b48acc3fe11fb66430c0ec70dc2a7",
"space_group_name": "C 2 2 2",
"unit_cell": {
"a": 109.88,
"b": 146.08,
"c": 40.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.150,2.000],
"number_observations": 124700,
"number_observations_unique": 21698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 4464,
"number_observations_unique": 1156,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.580
},
{
"type": "R(meas)",
"value": 1.804
},
{
"type": "R(pim)",
"value": 0.844
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 73.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.397
}
]
},
{
"resolution_limits": [73.150,8.940],
"number_observations": 1601,
"number_observations_unique": 304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}