Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "37e3dbd628f4b6720275053e90710688",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.81,
"b": 157.67,
"c": 57.87,
"alpha": 90.00,
"beta": 95.45,
"gamma": 90.00
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.840,2.100],
"number_observations": 165497,
"number_observations_unique": 57271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 12831,
"number_observations_unique": 4356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.810
},
{
"type": "R(meas)",
"value": 0.990
},
{
"type": "R(pim)",
"value": 0.560
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.528
}
]
},
{
"resolution_limits": [78.840,9.150],
"number_observations": 2515,
"number_observations_unique": 753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}