Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9dab7955bd4a59bb0e458e961b3bad23",
"space_group_name": "H 3",
"unit_cell": {
"a": 178.261,
"b": 178.261,
"c": 115.309,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97525],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.570,1.900],
"number_observations": 345059,
"number_observations_unique": 107077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 15929,
"number_observations_unique": 5240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.861
},
{
"type": "R(meas)",
"value": 1.047
},
{
"type": "R(pim)",
"value": 0.585
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.447
}
]
},
{
"resolution_limits": [44.570,10.410],
"number_observations": 2074,
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
}
]
}