Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98633cf57ce6762619b345c562d13cae",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.108,
"b": 70.366,
"c": 85.925,
"alpha": 102.79,
"beta": 96.70,
"gamma": 112.26
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.680,2.150],
"number_observations": 219636,
"number_observations_unique": 64511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.150],
"number_observations": 15497,
"number_observations_unique": 4502,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.388
},
{
"type": "R(meas)",
"value": 1.656
},
{
"type": "R(pim)",
"value": 0.889
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
},
{
"resolution_limits": [81.680,9.840],
"number_observations": 2623,
"number_observations_unique": 678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}