Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "71f9554fa047722f0db3d968c1dc7d68",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 82.020,
"b": 82.020,
"c": 427.841,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.330,3.400],
"number_observations": 52103,
"number_observations_unique": 11907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [3.462,3.400],
"number_observations": 2698,
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(meas)",
"value": 0.632
},
{
"type": "R(pim)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [46.330,9.437],
"number_observations": 2361,
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 80.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}