Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a116d60bf503e8ec605eae00aa2835de",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 32.530,
"b": 112.062,
"c": 30.823,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.530,1.500],
"number_observations": 239696,
"number_observations_unique": 18344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 11320,
"number_observations_unique": 849,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.237
},
{
"type": "R(meas)",
"value": 3.366
},
{
"type": "R(pim)",
"value": 0.913
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [32.530,8.220],
"number_observations": 1552,
"number_observations_unique": 150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 53.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}