Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1728024fa9f7743417ba2beeb314facd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 72.016,
"b": 128.595,
"c": 198.454,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.610,2.720],
"number_observations": 626437,
"number_observations_unique": 50451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.301
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.810,2.720],
"number_observations": 56365,
"number_observations_unique": 4552,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.640
},
{
"type": "R(meas)",
"value": 2.754
},
{
"type": "R(pim)",
"value": 0.779
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.429
}
]
},
{
"resolution_limits": [49.610,10.880],
"number_observations": 9761,
"number_observations_unique": 905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}