Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d8ace9b5ddd2074bc6054e0a745ed45",
"space_group_name": "P 64 2 2",
"unit_cell": {
"a": 103.50,
"b": 103.50,
"c": 96.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.557,2.104],
"number_observations": 343934,
"number_observations_unique": 18216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.104],
"number_observations": 17894,
"number_observations_unique": 894,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.485
},
{
"type": "R(meas)",
"value": 2.551
},
{
"type": "R(pim)",
"value": 0.569
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.475
}
]
},
{
"resolution_limits": [65.557,5.710],
"number_observations": 16385,
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}