Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf2ecc5b0377b4b236a11179c10025f8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 142.285,
"b": 181.594,
"c": 116.821,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.430,2.070],
"number_observations": 881596,
"number_observations_unique": 175249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.070],
"number_observations": 44367,
"number_observations_unique": 8805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.917
},
{
"type": "R(meas)",
"value": 1.024
},
{
"type": "R(pim)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.654
}
]
},
{
"resolution_limits": [47.430,11.340],
"number_observations": 5816,
"number_observations_unique": 1083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 40.700
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}