Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab46301f4876c3ed2251282722cb000e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.821,
"b": 57.257,
"c": 115.109,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.780,1.660],
"number_observations": 270111,
"number_observations_unique": 41481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 22.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.660],
"number_observations": 18977,
"number_observations_unique": 2956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.740
},
{
"type": "R(meas)",
"value": 0.805
},
{
"type": "R(pim)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [28.780,7.410],
"number_observations": 3263,
"number_observations_unique": 534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 78.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}