Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bda0100c7831b821f6bfc6f1986edeca",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 73.513,
"b": 112.761,
"c": 67.892,
"alpha": 90.00,
"beta": 119.58,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.614,1.932],
"number_observations": 80019,
"number_observations_unique": 27588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.095,1.932],
"number_observations": 3854,
"number_observations_unique": 1379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.719
},
{
"type": "R(meas)",
"value": 0.880
},
{
"type": "R(pim)",
"value": 0.500
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 33.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.607
}
]
},
{
"resolution_limits": [55.614,5.673],
"number_observations": 4051,
"number_observations_unique": 1379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}