Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d2981bb6509d158a5bbe71f55c6ddce",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.788,
"b": 123.329,
"c": 69.589,
"alpha": 90.00,
"beta": 92.64,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.520,2.320],
"number_observations": 236589,
"number_observations_unique": 44358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.320],
"number_observations_unique": 6451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.763
},
{
"type": "R(meas)",
"value": 0.847
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.693
}
]
},
{
"resolution_limits": [69.520,7.340],
"number_observations_unique": 1446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}