Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d438a63a55654b579d4b9bb8f1fc49b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 174.183,
"b": 177.867,
"c": 229.645,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.770,2.100],
"number_observations_unique": 409865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.514
},
{
"type": "R(meas)",
"value": 0.568
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 20252,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.004
},
{
"type": "R(meas)",
"value": 3.336
},
{
"type": "R(pim)",
"value": 1.410
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.321
}
]
},
{
"resolution_limits": [44.770,11.500],
"number_observations_unique": 2476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}