Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ddb4957ab31d879a7c33137952e58cb3",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 102.033,
"b": 141.320,
"c": 172.525,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [172.520,2.800],
"number_observations_unique": 62219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.800],
"number_observations": 56362,
"number_observations_unique": 4542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.971
},
{
"type": "R(meas)",
"value": 1.013
},
{
"type": "R(pim)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [172.520,12.520],
"number_observations": 9669,
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}