Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9fb4c57fdd9fb3e81418631eee5cfb26",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.96,
"b": 82.96,
"c": 133.72,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.620,2.470],
"number_observations": 386048,
"number_observations_unique": 19697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.530,2.470],
"number_observations": 29873,
"number_observations_unique": 1421,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.975
},
{
"type": "R(meas)",
"value": 2.024
},
{
"type": "R(pim)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 21.000
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [39.620,11.050],
"number_observations": 3233,
"number_observations_unique": 260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}