Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b552cbb096fafc7a584b8e01a5de2be3",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.413,
"b": 120.081,
"c": 123.329,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.890,1.800],
"number_observations": 318966,
"number_observations_unique": 46713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 17961,
"number_observations_unique": 2752,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.682
},
{
"type": "R(meas)",
"value": 1.827
},
{
"type": "R(pim)",
"value": 0.705
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [38.890,9.000],
"number_observations": 2665,
"number_observations_unique": 428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}