Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2cbc3109a6f386cfc7691e5ccc89d63b",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.208,
"b": 70.390,
"c": 85.354,
"alpha": 102.74,
"beta": 95.87,
"gamma": 112.42
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.450,1.970],
"number_observations": 279384,
"number_observations_unique": 82548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.970],
"number_observations": 13633,
"number_observations_unique": 4367,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.120
},
{
"type": "R(meas)",
"value": 2.563
},
{
"type": "R(pim)",
"value": 1.413
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.263
}
]
},
{
"resolution_limits": [81.450,10.070],
"number_observations": 2452,
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}