Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2759ed0c183d372d35f1bf056ccaaf50",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.290,
"b": 118.374,
"c": 164.912,
"alpha": 90.0,
"beta": 90.1,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.460,1.900],
"number_observations": 723511,
"number_observations_unique": 157574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 34289,
"number_observations_unique": 7832,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.506
},
{
"type": "R(meas)",
"value": 3.980
},
{
"type": "R(pim)",
"value": 1.844
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.566
}
]
},
{
"resolution_limits": [39.460,10.410],
"number_observations": 4851,
"number_observations_unique": 986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}