Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6dbe81edb45fe8f92ab11a72602fef03",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 84.087,
"b": 93.893,
"c": 157.497,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.7,2.400],
"number_observations_unique": 49319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.400],
"number_observations": 50466,
"number_observations_unique": 4499,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.004
},
{
"type": "R(meas)",
"value": 3.163
},
{
"type": "R(pim)",
"value": 0.972
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.457
}
]
},
{
"resolution_limits": [39.670,9.600],
"number_observations": 9930,
"number_observations_unique": 870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 37.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}