Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "224332f31a9ffa46b162d81f428cf21a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.73,
"b": 79.50,
"c": 89.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.500,1.320],
"number_observations": 678593,
"number_observations_unique": 104850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.320],
"number_observations": 42198,
"number_observations_unique": 7611,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.866
},
{
"type": "R(meas)",
"value": 2.063
},
{
"type": "R(pim)",
"value": 0.865
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.345
}
]
},
{
"resolution_limits": [79.500,5.900],
"number_observations": 8407,
"number_observations_unique": 1340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}