Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "431992ed089cb02458d30cea7758ec6c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.286,
"b": 71.286,
"c": 150.357,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.350,1.400],
"number_observations": 991070,
"number_observations_unique": 77287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 43716,
"number_observations_unique": 3882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.814
},
{
"type": "R(meas)",
"value": 0.852
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [29.350,7.400],
"number_observations": 7497,
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 41.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}