Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e2930047ab74a6a54bb2a2ea6dfada31",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.010,
"b": 69.541,
"c": 74.853,
"alpha": 90.0,
"beta": 102.4,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.000,1.450],
"number_observations": 605037,
"number_observations_unique": 89271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.450],
"number_observations_unique": 8550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "R(pim)",
"value": 0.249
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [1.560,1.500],
"number_observations_unique": 8811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.502
},
{
"type": "R(pim)",
"value": 0.218
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [1.630,1.560],
"number_observations_unique": 8912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.505
},
{
"type": "R(meas)",
"value": 0.553
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [1.720,1.630],
"number_observations_unique": 8889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "R(meas)",
"value": 0.588
},
{
"type": "R(pim)",
"value": 0.216
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [1.830,1.720],
"number_observations_unique": 8948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [1.970,1.830],
"number_observations_unique": 9024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "R(meas)",
"value": 0.430
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.170,1.970],
"number_observations_unique": 9063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.480,2.170],
"number_observations_unique": 8910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.120,2.480],
"number_observations_unique": 9168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [25.000,3.120],
"number_observations_unique": 8996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}