Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8fddecf8ee759a4bc1ba1322106a5c7",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.176,
"b": 70.314,
"c": 85.289,
"alpha": 102.47,
"beta": 96.41,
"gamma": 112.58
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.330,2.280],
"number_observations": 180827,
"number_observations_unique": 53566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.280],
"number_observations": 15012,
"number_observations_unique": 4537,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.713
},
{
"type": "R(meas)",
"value": 2.047
},
{
"type": "R(pim)",
"value": 1.101
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.377
}
]
},
{
"resolution_limits": [81.330,9.390],
"number_observations": 2935,
"number_observations_unique": 783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
}
]
}