Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9d5ab20c345970ccdad0736981d147ec",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 70.852,
"b": 109.570,
"c": 113.209,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96771],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.010,3.000],
"number_observations": 40889,
"number_observations_unique": 9005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 5782,
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.932
},
{
"type": "R(meas)",
"value": 1.065
},
{
"type": "R(pim)",
"value": 0.499
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [41.010,9.000],
"number_observations": 1583,
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.200
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}