Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0455b1405c6135c7df90282a938b2449",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.727,
"b": 57.130,
"c": 114.988,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.720,1.370],
"number_observations": 438423,
"number_observations_unique": 72458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.370],
"number_observations": 26096,
"number_observations_unique": 5287,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.377
},
{
"type": "R(meas)",
"value": 1.543
},
{
"type": "R(pim)",
"value": 0.689
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
},
{
"resolution_limits": [51.720,6.130],
"number_observations": 5625,
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 48.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}