Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea5780d12c48d755897754daed5793f7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.900,
"b": 164.613,
"c": 92.736,
"alpha": 90.00,
"beta": 100.92,
"gamma": 90.00
},
"wavelengths": [0.86100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.000,1.700],
"number_observations": 652840,
"number_observations_unique": 141424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 31379,
"number_observations_unique": 6905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.601
},
{
"type": "R(meas)",
"value": 0.679
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [47.000,9.310],
"number_observations": 4298,
"number_observations_unique": 905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 48.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}