Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00617d61ba76d3f0e6691ccde6cf5591",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.144,
"b": 70.211,
"c": 85.599,
"alpha": 102.82,
"beta": 96.42,
"gamma": 112.16
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.270,1.890],
"number_observations": 312234,
"number_observations_unique": 93363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.890],
"number_observations": 13045,
"number_observations_unique": 4443,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.772
},
{
"type": "R(meas)",
"value": 2.179
},
{
"type": "R(pim)",
"value": 1.241
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.296
}
]
},
{
"resolution_limits": [62.270,10.350],
"number_observations": 2303,
"number_observations_unique": 584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}