Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f6e8fb7aa9e370baeb34919dd07cd7d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.981,
"b": 68.229,
"c": 111.412,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.280,2.200],
"number_observations": 134678,
"number_observations_unique": 25073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 11494,
"number_observations_unique": 2136,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.142
},
{
"type": "R(pim)",
"value": 0.527
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.584
}
]
},
{
"resolution_limits": [46.280,9.070],
"number_observations": 1828,
"number_observations_unique": 419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 53.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}