Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f0c9fdc50f4cced807ce748e8b0c139",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.70,
"b": 57.74,
"c": 114.29,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.620,1.890],
"number_observations": 179879,
"number_observations_unique": 28160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.890],
"number_observations": 13770,
"number_observations_unique": 2049,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.931
},
{
"type": "R(meas)",
"value": 2.093
},
{
"type": "R(pim)",
"value": 0.802
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.592
}
]
},
{
"resolution_limits": [40.620,8.450],
"number_observations": 2160,
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}