Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d0b1f323b6d48336f5339b8873b515c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.553,
"b": 45.896,
"c": 63.471,
"alpha": 90.00,
"beta": 111.52,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.020,1.280],
"number_observations": 517476,
"number_observations_unique": 80979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.280],
"number_observations": 37302,
"number_observations_unique": 5974,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.422
},
{
"type": "R(meas)",
"value": 1.551
},
{
"type": "R(pim)",
"value": 0.611
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.492
}
]
},
{
"resolution_limits": [59.020,5.720],
"number_observations": 6244,
"number_observations_unique": 962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}