Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3890956d092e42f331a36af142c03c2a",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.61,
"b": 75.43,
"c": 118.34,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93927],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.340,2.290],
"number_observations": 67758,
"number_observations_unique": 11859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.290],
"number_observations": 7216,
"number_observations_unique": 1225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.584
},
{
"type": "R(meas)",
"value": 0.639
},
{
"type": "R(pim)",
"value": 0.254
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [55.340,8.870],
"number_observations": 1236,
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 32.600
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}