Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "410125982b6ee7302e36ab891c6a62f7",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 47.83,
"b": 75.16,
"c": 151.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.96,1.650],
"number_observations_unique": 66128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 10926,
"number_observations_unique": 3208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "R(meas)",
"value": 0.845
},
{
"type": "R(pim)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.523
}
]
},
{
"resolution_limits": [45.620,9.030],
"number_observations": 1692,
"number_observations_unique": 469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}