Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3424a6195bf06aa15283ec62d98a4d2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.565,
"b": 52.545,
"c": 44.523,
"alpha": 90.00,
"beta": 102.78,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.420,1.680],
"number_observations": 100362,
"number_observations_unique": 28694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 4343,
"number_observations_unique": 1458,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.245
},
{
"type": "R(meas)",
"value": 1.512
},
{
"type": "R(pim)",
"value": 0.844
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.360
}
]
},
{
"resolution_limits": [54.420,9.050],
"number_observations": 777,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}