Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95b91c0b031c18a4b13a008257dfa017",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 87.145,
"b": 87.145,
"c": 453.600,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.160,1.710],
"number_observations_unique": 112281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 27.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 144842,
"number_observations_unique": 5332,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.155
},
{
"type": "R(meas)",
"value": 3.215
},
{
"type": "R(pim)",
"value": 0.605
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 27.200
},
{
"type": "CC(1/2)",
"value": 0.581
}
]
},
{
"resolution_limits": [49.160,9.350],
"number_observations": 17638,
"number_observations_unique": 900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 55.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 19.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}