Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b546b1a8078c4b50c3d9a42b0b7983b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 78.256,
"b": 103.658,
"c": 113.280,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.470,1.650],
"number_observations": 980070,
"number_observations_unique": 111311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 43087,
"number_observations_unique": 5397,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.380
},
{
"type": "R(meas)",
"value": 3.608
},
{
"type": "R(pim)",
"value": 1.250
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.358
}
]
},
{
"resolution_limits": [76.470,9.040],
"number_observations": 6373,
"number_observations_unique": 797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
}
]
}