Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08b1a763a02f854b2a27bcbfaa6364ea",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 68.314,
"b": 68.314,
"c": 106.501,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.360,1.520],
"number_observations": 73229,
"number_observations_unique": 39124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"number_observations": 3147,
"number_observations_unique": 1677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [29.360,8.340],
"number_observations": 448,
"number_observations_unique": 299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.011
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}