Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40c75ea13829bbef9f6f1ddf28120760",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 95.863,
"b": 95.863,
"c": 111.522,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97933],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.020,1.460],
"number_observations": 726615,
"number_observations_unique": 99972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.460],
"number_observations": 5517,
"number_observations_unique": 2835,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.679
},
{
"type": "R(meas)",
"value": 2.161
},
{
"type": "R(pim)",
"value": 1.335
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 56.100
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.415
}
]
},
{
"resolution_limits": [83.020,8.010],
"number_observations": 3797,
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 39.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}