Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b2475b21297d7999fc0083c708ccbef",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 131.089,
"b": 239.733,
"c": 135.132,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.010,2.200],
"number_observations": 758221,
"number_observations_unique": 106450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations": 38766,
"number_observations_unique": 5261,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.099
},
{
"type": "R(meas)",
"value": 2.259
},
{
"type": "R(pim)",
"value": 0.827
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.489
}
]
},
{
"resolution_limits": [48.010,12.050],
"number_observations": 4259,
"number_observations_unique": 717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 46.400
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}