Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eec06c4bc07a2187939d3ffec4f3de48",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.93,
"b": 119.53,
"c": 67.31,
"alpha": 90.00,
"beta": 100.28,
"gamma": 90.00
},
"wavelengths": [0.93340],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.229,2.27],
"number_observations": 121261,
"number_observations_unique": 46354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.270],
"number_observations": 18132,
"number_observations_unique": 7029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(pim)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.540,2.390],
"number_observations": 17345,
"number_observations_unique": 6604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.710,2.540],
"number_observations": 14441,
"number_observations_unique": 5496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.930,2.710],
"number_observations": 15347,
"number_observations_unique": 5809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [3.210,2.930],
"number_observations": 13886,
"number_observations_unique": 5361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [3.590,3.210],
"number_observations": 11458,
"number_observations_unique": 4436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 28.600
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [4.150,3.590],
"number_observations": 9361,
"number_observations_unique": 3631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.700
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [5.080,4.150],
"number_observations": 9744,
"number_observations_unique": 3619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.011
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 55.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [7.180,5.080],
"number_observations": 7359,
"number_observations_unique": 2808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 45.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [44.257,7.180],
"number_observations": 4188,
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.700
}
]
}
]
}