Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d7f2d376bf02ab218adf863dfeeccc8",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 99.884,
"b": 99.884,
"c": 98.898,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.110,2.010],
"number_observations": 122991,
"number_observations_unique": 12812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 8984,
"number_observations_unique": 929,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.793
},
{
"type": "R(meas)",
"value": 1.893
},
{
"type": "R(pim)",
"value": 0.604
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [65.110,8.990],
"number_observations": 1599,
"number_observations_unique": 170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}