Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3bba3ace08c868e74b58ee79ed3aaa21",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 91.92,
"b": 132.62,
"c": 169.85,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.840,2.540],
"number_observations": 931049,
"number_observations_unique": 69146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.610,2.540],
"number_observations": 70425,
"number_observations_unique": 5067,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.330
},
{
"type": "R(meas)",
"value": 1.381
},
{
"type": "R(pim)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [80.840,11.360],
"number_observations": 10541,
"number_observations_unique": 885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 58.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}