Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "233a335f510f3c475627ba0233a03a87",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.310,
"b": 95.310,
"c": 45.663,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.380,1.330],
"number_observations": 547516,
"number_observations_unique": 47087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.330],
"number_observations": 11298,
"number_observations_unique": 2312,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.707
},
{
"type": "R(meas)",
"value": 1.913
},
{
"type": "R(pim)",
"value": 0.838
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.313
}
]
},
{
"resolution_limits": [67.380,7.290],
"number_observations": 3817,
"number_observations_unique": 317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 73.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}