Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dceb72a855b23a24b30faf234786b7f8",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 242.9,
"b": 242.9,
"c": 242.9,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97894],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.160,2.500],
"number_observations": 461803,
"number_observations_unique": 81520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.550,2.500],
"number_observations": 22396,
"number_observations_unique": 4454,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.027
},
{
"type": "R(meas)",
"value": 1.149
},
{
"type": "R(pim)",
"value": 0.505
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [99.160,12.990],
"number_observations": 3389,
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}