Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c6899c610dd9056354f6cd37f1f5742",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.89,
"b": 86.58,
"c": 126.77,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.140,1.610],
"number_observations": 435928,
"number_observations_unique": 63511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 32896,
"number_observations_unique": 4642,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.403
},
{
"type": "R(meas)",
"value": 1.514
},
{
"type": "R(pim)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.509
}
]
},
{
"resolution_limits": [51.140,7.200],
"number_observations": 5474,
"number_observations_unique": 857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 56.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}