Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9bc536230c8e6b155c65c8018c7ffb2d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.65,
"b": 45.30,
"c": 83.41,
"alpha": 90.00,
"beta": 102.42,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.580,1.810],
"number_observations": 143501,
"number_observations_unique": 41832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.810],
"number_observations": 10683,
"number_observations_unique": 3067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(meas)",
"value": 0.792
},
{
"type": "R(pim)",
"value": 0.420
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [42.580,8.090],
"number_observations": 1778,
"number_observations_unique": 521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 45.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}