Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb535c5dc31468fcae233a03b1b33a95",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.330,
"b": 52.687,
"c": 61.654,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.330,1.630],
"number_observations": 129783,
"number_observations_unique": 20281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 40.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations": 6645,
"number_observations_unique": 1003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [48.330,8.930],
"number_observations": 844,
"number_observations_unique": 154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.014
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 88.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}