Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b2ed46bbe9dca7057e402df2caed4053",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 174.669,
"b": 96.388,
"c": 123.707,
"alpha": 90.00,
"beta": 102.65,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [120.700,1.550],
"number_observations": 1955581,
"number_observations_unique": 269937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.550],
"number_observations": 307235,
"number_observations_unique": 41988,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.626
},
{
"type": "R(meas)",
"value": 1.753
},
{
"type": "R(pim)",
"value": 0.647
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.449
}
]
},
{
"resolution_limits": [120.700,4.910],
"number_observations": 66974,
"number_observations_unique": 9327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}