Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5777b0aeb6b47d16802b3ed86754ed31",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 122.284,
"b": 118.716,
"c": 222.253,
"alpha": 90.0,
"beta": 90.2,
"gamma": 90.0
},
"wavelengths": [0.97890],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.2100,2.500],
"number_observations_unique": 215443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations": 44256,
"number_observations_unique": 10744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2442
},
{
"type": "R(meas)",
"value": 0.2804
},
{
"type": "R(pim)",
"value": 0.1364
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.249
}
]
},
{
"resolution_limits": [48.160,13.690],
"number_observations": 5063,
"number_observations_unique": 1370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 33.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}