Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c40feb1236c9d5e7c512eb3872ad7712",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.151,
"b": 70.144,
"c": 85.263,
"alpha": 102.15,
"beta": 96.51,
"gamma": 112.54
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.240,2.430],
"number_observations": 148029,
"number_observations_unique": 43924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.530,2.430],
"number_observations": 14475,
"number_observations_unique": 4439,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.483
},
{
"type": "R(meas)",
"value": 1.822
},
{
"type": "R(pim)",
"value": 1.035
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.383
}
]
},
{
"resolution_limits": [62.240,9.110],
"number_observations": 3106,
"number_observations_unique": 858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}