Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c4f650320b25f29ce3e736afc5033f2",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.521,
"b": 76.178,
"c": 117.998,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.330,2.550],
"number_observations": 61381,
"number_observations_unique": 9476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.550],
"number_observations": 5959,
"number_observations_unique": 908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.981
},
{
"type": "R(meas)",
"value": 1.065
},
{
"type": "R(pim)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [48.330,9.880],
"number_observations": 1029,
"number_observations_unique": 194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}