Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "316e661f3bbd0a770f0241882d73cf0b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.331,
"b": 56.426,
"c": 101.805,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.440,1.490],
"number_observations": 305455,
"number_observations_unique": 51720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.490],
"number_observations": 40770,
"number_observations_unique": 6819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.609
},
{
"type": "R(meas)",
"value": 0.666
},
{
"type": "R(pim)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [21.440,4.940],
"number_observations": 10268,
"number_observations_unique": 1588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}