Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "010e247c1966be5a18d717b8d69a943a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.002,
"b": 56.946,
"c": 115.040,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.980,1.390],
"number_observations": 435267,
"number_observations_unique": 69562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.390],
"number_observations": 26544,
"number_observations_unique": 5089,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.377
},
{
"type": "R(meas)",
"value": 1.536
},
{
"type": "R(pim)",
"value": 0.672
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.528
}
]
},
{
"resolution_limits": [51.980,6.220],
"number_observations": 5483,
"number_observations_unique": 907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 37.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}