Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9a6aca8eb9ec522a5376ac56650437d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.699,
"b": 96.057,
"c": 57.785,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.890,1.880],
"number_observations": 116339,
"number_observations_unique": 18579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.880],
"number_observations": 3922,
"number_observations_unique": 957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.908
},
{
"type": "R(meas)",
"value": 1.029
},
{
"type": "R(pim)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 73.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [28.890,8.600],
"number_observations": 1379,
"number_observations_unique": 228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 30.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}