Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3572101cf41ee9c851b1a83ffcad76fe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.56,
"b": 52.43,
"c": 101.81,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.430,1.700],
"number_observations": 191839,
"number_observations_unique": 29953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 13366,
"number_observations_unique": 2142,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.362
},
{
"type": "R(meas)",
"value": 1.487
},
{
"type": "R(pim)",
"value": 0.591
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.571
}
]
},
{
"resolution_limits": [52.430,7.600],
"number_observations": 2286,
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 45.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}