Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b0852680c02487761c31d4e2c4ad728a",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 87.120,
"b": 92.145,
"c": 49.922,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.310,1.810],
"number_observations": 155653,
"number_observations_unique": 37280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.810],
"number_observations": 23342,
"number_observations_unique": 5406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.736
},
{
"type": "R(meas)",
"value": 0.839
},
{
"type": "R(pim)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.689
}
]
},
{
"resolution_limits": [63.310,5.710],
"number_observations": 4830,
"number_observations_unique": 1308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 26.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}