Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2fd18501fac07445760aa292643a4569",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 87.736,
"b": 82.223,
"c": 93.585,
"alpha": 90.00,
"beta": 108.06,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.66,1.58],
"number_observations": 596939,
"number_observations_unique": 86575,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 10.24
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.66,4.70],
"number_observations": 23227,
"number_observations_unique": 3371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 42.98
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.66,3.33],
"number_observations": 41800,
"number_observations_unique": 5971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 39.00
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.66,2.72],
"number_observations": 52916,
"number_observations_unique": 7702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 24.25
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.66,2.36],
"number_observations": 64151,
"number_observations_unique": 9093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 15.01
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.05
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [44.66,2.11],
"number_observations": 72399,
"number_observations_unique": 10262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 8.93
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.06
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [44.66,1.93],
"number_observations": 77349,
"number_observations_unique": 11380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.42
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 4.44
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [44.66,1.78],
"number_observations": 84165,
"number_observations_unique": 12322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.98
},
{
"type": "R(meas)",
"value": 1.062
},
{
"type": "I/SigI",
"value": 2.00
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [44.66,1.67],
"number_observations": 90339,
"number_observations_unique": 13169,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.109
},
{
"type": "R(meas)",
"value": 2.284
},
{
"type": "I/SigI",
"value": 0.93
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.527
}
]
},
{
"resolution_limits": [44.66,1.57],
"number_observations": 90593,
"number_observations_unique": 13305,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.958
},
{
"type": "R(meas)",
"value": 4.29
},
{
"type": "I/SigI",
"value": 0.46
},
{
"type": "Completeness",
"value": 94.4
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.259
}
]
}
]
}