Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ba4d2f212df443aebb3a72ae4412027",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.87,
"b": 58.31,
"c": 114.38,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.180,1.280],
"number_observations": 527658,
"number_observations_unique": 88392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.280],
"number_observations": 26956,
"number_observations_unique": 6089,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.301
},
{
"type": "R(meas)",
"value": 1.481
},
{
"type": "R(pim)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.509
}
]
},
{
"resolution_limits": [27.180,5.720],
"number_observations": 6408,
"number_observations_unique": 1138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 34.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}