Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8bc7dea8fb00f8bc61af24941ab35755",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 83.75,
"b": 73.60,
"c": 100.21,
"alpha": 90.00,
"beta": 90.05,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.260,1.700],
"number_observations": 945105,
"number_observations_unique": 131847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 43983,
"number_observations_unique": 6397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.708
},
{
"type": "R(pim)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [25.260,9.310],
"number_observations": 5141,
"number_observations_unique": 754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 27.100
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}