Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2bf849b3368031c22ce5dd4b20478103",
"space_group_name": "P 1",
"unit_cell": {
"a": 76.758,
"b": 76.937,
"c": 174.842,
"alpha": 88.56,
"beta": 81.41,
"gamma": 79.79
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.050,2.700],
"number_observations": 365688,
"number_observations_unique": 105530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.750,2.700],
"number_observations": 18530,
"number_observations_unique": 5321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "R(meas)",
"value": 0.448
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [49.050,14.790],
"number_observations": 2093,
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}