Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8867e3c5b061c9d8e52b9b6865f5cfbe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.515,
"b": 104.330,
"c": 69.406,
"alpha": 90.00,
"beta": 115.97,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.050,2.600],
"number_observations": 86881,
"number_observations_unique": 25875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 10122,
"number_observations_unique": 3159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.694
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.686
}
]
},
{
"resolution_limits": [39.050,9.010],
"number_observations": 2038,
"number_observations_unique": 643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}