Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ba306212bd9a3ebc2f8b32d6026adeef",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.924,
"b": 167.162,
"c": 137.287,
"alpha": 90.00,
"beta": 92.57,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.080,2.640],
"number_observations": 450936,
"number_observations_unique": 88355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.640],
"number_observations": 22860,
"number_observations_unique": 4511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.962
},
{
"type": "R(meas)",
"value": 1.073
},
{
"type": "R(pim)",
"value": 0.470
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.362
}
]
},
{
"resolution_limits": [62.080,14.220],
"number_observations": 2757,
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}