Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79a496db7c75cfcdd1d0aca3a6da218d",
"space_group_name": "P 1",
"unit_cell": {
"a": 34.24,
"b": 34.84,
"c": 48.41,
"alpha": 93.38,
"beta": 107.38,
"gamma": 117.45
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.930,1.630],
"number_observations": 65928,
"number_observations_unique": 21777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.630],
"number_observations": 5148,
"number_observations_unique": 2965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "R(meas)",
"value": 0.654
},
{
"type": "R(pim)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [44.930,5.160],
"number_observations": 3682,
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 60.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}