Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78a8ca4417e2ea7d4e784205b8a01de9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.867,
"b": 56.587,
"c": 101.781,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.100,1.690],
"number_observations": 237857,
"number_observations_unique": 36877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.690],
"number_observations": 18003,
"number_observations_unique": 2652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.994
},
{
"type": "R(meas)",
"value": 1.075
},
{
"type": "R(pim)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [29.100,7.540],
"number_observations": 3037,
"number_observations_unique": 489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 62.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}