Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e1bbfb5b29450d1cb6c246a26107394",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.299,
"b": 68.740,
"c": 118.776,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.31,2.11],
"number_observations": 70562,
"number_observations_unique": 12157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.185,2.11],
"number_observations": 2382,
"number_observations_unique": 1202,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.290
},
{
"type": "R(meas)",
"value": 1.454
},
{
"type": "R(pim)",
"value": 0.661
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 40.300
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.483
}
]
},
{
"resolution_limits": [40.592,5.510],
"number_observations": 3251,
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 50.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}