Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c40b8dfe8737465ef22dd494c8959a2c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.439,
"b": 82.059,
"c": 94.103,
"alpha": 90.00,
"beta": 108.31,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.67,1.44],
"number_observations": 797953,
"number_observations_unique": 115420,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 11.20
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.67,4.29],
"number_observations": 30760,
"number_observations_unique": 4440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 39.79
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.67,3.04],
"number_observations": 55464,
"number_observations_unique": 7920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 36.53
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.67,2.49],
"number_observations": 71882,
"number_observations_unique": 10182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 26.82
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.06
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.67,2.15],
"number_observations": 85494,
"number_observations_unique": 12020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 19.24
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.11
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [44.67,1.93],
"number_observations": 93124,
"number_observations_unique": 13653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.19
},
{
"type": "I/SigI",
"value": 11.42
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.82
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [44.67,1.76],
"number_observations": 103291,
"number_observations_unique": 15042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 5.60
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [44.67,1.63],
"number_observations": 112863,
"number_observations_unique": 16312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "R(meas)",
"value": 0.699
},
{
"type": "I/SigI",
"value": 2.81
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.92
},
{
"type": "CC(1/2)",
"value": 0.89
}
]
},
{
"resolution_limits": [44.67,1.52],
"number_observations": 121750,
"number_observations_unique": 17558,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.179
},
{
"type": "R(meas)",
"value": 1.275
},
{
"type": "I/SigI",
"value": 1.39
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.688
}
]
},
{
"resolution_limits": [44.67,1.44],
"number_observations": 123325,
"number_observations_unique": 18293,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.178
},
{
"type": "R(meas)",
"value": 2.362
},
{
"type": "I/SigI",
"value": 0.64
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 6.74
},
{
"type": "CC(1/2)",
"value": 0.362
}
]
}
]
}