Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fbcfb85db6eb308985b0cf458a7baa0e",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 73.45,
"b": 73.45,
"c": 242.40,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.800,2.500],
"number_observations": 380456,
"number_observations_unique": 24010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 44095,
"number_observations_unique": 2655,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.869
},
{
"type": "R(meas)",
"value": 1.928
},
{
"type": "R(pim)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.634
}
]
},
{
"resolution_limits": [80.800,9.010],
"number_observations": 7849,
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}