Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00978e78ef1f0483c36cb836375867b8",
"space_group_name": "I 41",
"unit_cell": {
"a": 64.036,
"b": 64.036,
"c": 33.293,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91776],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.94],
"number_observations_unique": 5104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 12.16
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 12.76
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.06,1.94],
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.417
},
{
"type": "R(meas)",
"value": 2.511
},
{
"type": "I/SigI",
"value": 1.14
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 13.52
},
{
"type": "CC(1/2)",
"value": 0.507
}
]
},
{
"resolution_limits": [2.20,2.06],
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.099
},
{
"type": "R(meas)",
"value": 1.143
},
{
"type": "I/SigI",
"value": 2.61
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.40
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [2.37,2.20],
"number_observations_unique": 705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.692
},
{
"type": "R(meas)",
"value": 0.721
},
{
"type": "I/SigI",
"value": 3.90
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 12.95
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.60,2.37],
"number_observations_unique": 655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 7.31
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 12.65
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.91,2.60],
"number_observations_unique": 606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 10.92
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 12.99
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.35,2.91],
"number_observations_unique": 536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 19.73
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 12.16
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
{
"resolution_limits": [4.10,3.35],
"number_observations_unique": 453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 28.79
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 12.83
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.78,4.10],
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 37.10
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 11.60
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50,5.78],
"number_observations_unique": 211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 39.50
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 9.89
},
{
"type": "CC(1/2)",
"value": 1
}
]
}
]
}