Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c491a7b9f88a1c8108edc5a1d2151518",
"space_group_name": "P 1",
"unit_cell": {
"a": 67.45,
"b": 68.94,
"c": 71.42,
"alpha": 116.311,
"beta": 107.050,
"gamma": 95.104
},
"wavelengths": [0.94600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.690,1.910],
"number_observations": 263495,
"number_observations_unique": 144300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 6.210
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 1.826
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.910],
"number_observations": 36907,
"number_observations_unique": 21199,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.658
},
{
"type": "R(meas)",
"value": 2.344
},
{
"type": "I/SigI",
"value": 0.560
},
{
"type": "Completeness",
"value": 79.700
},
{
"type": "Redundancy",
"value": 1.741
},
{
"type": "CC(1/2)",
"value": 0.561
}
]
},
{
"resolution_limits": [2.170,2.030],
"number_observations": 41129,
"number_observations_unique": 22781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "R(meas)",
"value": 1.143
},
{
"type": "I/SigI",
"value": 1.120
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 1.805
},
{
"type": "CC(1/2)",
"value": 0.432
}
]
},
{
"resolution_limits": [2.340,2.170],
"number_observations": 33085,
"number_observations_unique": 17425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.020
},
{
"type": "Completeness",
"value": 75.000
},
{
"type": "Redundancy",
"value": 1.899
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.570,2.340],
"number_observations": 38541,
"number_observations_unique": 20576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 3.230
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 1.873
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [2.870,2.570],
"number_observations": 32492,
"number_observations_unique": 18273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 5.160
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 1.778
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.310,2.870],
"number_observations": 29971,
"number_observations_unique": 16362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 9.070
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 1.832
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.050,3.310],
"number_observations": 22159,
"number_observations_unique": 11702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 15.390
},
{
"type": "Completeness",
"value": 81.000
},
{
"type": "Redundancy",
"value": 1.894
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.700,4.050],
"number_observations": 18575,
"number_observations_unique": 10366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 19.730
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 1.792
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [45.690,5.700],
"number_observations": 10636,
"number_observations_unique": 5616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 23.020
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 1.894
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}