Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f492042e7d62a1b43a63e258ba7831f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 24.857,
"b": 133.619,
"c": 220.442,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.540,2.900],
"number_observations": 105956,
"number_observations_unique": 17539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [3.070,2.900],
"number_observations": 16590,
"number_observations_unique": 2715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.693
},
{
"type": "R(pim)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [44.540,8.690],
"number_observations": 3924,
"number_observations_unique": 774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 32.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}