Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "698e42f24d760784d01824fcbc29caba",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.886,
"b": 65.824,
"c": 128.963,
"alpha": 90.00,
"beta": 112.84,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.490,1.750],
"number_observations": 351321,
"number_observations_unique": 78316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 19720,
"number_observations_unique": 4298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [46.490,9.090],
"number_observations": 2602,
"number_observations_unique": 586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 77.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}