Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "817a31e0e9e931a08a8c4cdf9b6795fd",
"space_group_name": "P 62 2 2",
"unit_cell": {
"a": 97.829,
"b": 97.829,
"c": 140.590,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.7220,1.770],
"number_observations_unique": 39125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,1.770],
"number_observations": 365696,
"number_observations_unique": 13427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.770
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.200
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [84.720,3.550],
"number_observations": 124250,
"number_observations_unique": 5232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 81.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 23.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}