Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47119b690ce8e6a410a0bcec36e64ae7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 120.330,
"b": 65.013,
"c": 144.757,
"alpha": 90.00,
"beta": 99.72,
"gamma": 90.00
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.070,2.200],
"number_observations": 258945,
"number_observations_unique": 55909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 13723,
"number_observations_unique": 4505,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.254
},
{
"type": "R(meas)",
"value": 1.526
},
{
"type": "R(pim)",
"value": 0.860
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.338
}
]
},
{
"resolution_limits": [38.070,9.330],
"number_observations": 3312,
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}