Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a4c6885a460b7c0888c1cccb812a1c36",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.577,
"b": 79.455,
"c": 89.365,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.160,1.290],
"number_observations": 721208,
"number_observations_unique": 113211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.290],
"number_observations": 88005,
"number_observations_unique": 16392,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.753
},
{
"type": "R(meas)",
"value": 1.946
},
{
"type": "R(pim)",
"value": 0.837
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.370
}
]
},
{
"resolution_limits": [49.160,4.070],
"number_observations": 23927,
"number_observations_unique": 3875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 34.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}