Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b75841243939ac45bb2331a5730134a6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.929,
"b": 94.936,
"c": 63.636,
"alpha": 90.00,
"beta": 110.35,
"gamma": 90.00
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.175,1.980],
"number_observations_unique": 44118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,1.980],
"number_observations": 18789,
"number_observations_unique": 4288,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.134
},
{
"type": "R(meas)",
"value": 1.291
},
{
"type": "R(pim)",
"value": 0.608
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.560
}
]
},
{
"resolution_limits": [49.170,7.670],
"number_observations": 3396,
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 35.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}