Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c87116d09c2aa171f52427813bd21f67",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 146.214,
"b": 161.631,
"c": 244.437,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.510,2.450],
"number_observations": 2939346,
"number_observations_unique": 212143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.450],
"number_observations": 145428,
"number_observations_unique": 10384,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.050
},
{
"type": "R(meas)",
"value": 2.127
},
{
"type": "R(pim)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.593
}
]
},
{
"resolution_limits": [49.510,13.420],
"number_observations": 16767,
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}