Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a628cbb50a74ba95d2d50861c6d0f7c3",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.39,
"b": 83.39,
"c": 133.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.340,2.450],
"number_observations": 394505,
"number_observations_unique": 20287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.450],
"number_observations": 30822,
"number_observations_unique": 1464,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.400
},
{
"type": "R(meas)",
"value": 1.434
},
{
"type": "R(pim)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [35.340,10.960],
"number_observations": 3506,
"number_observations_unique": 266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}