Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "871c8f5fa176185b36588191e4a6fc82",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.92,
"b": 119.34,
"c": 67.75,
"alpha": 90.00,
"beta": 100.37,
"gamma": 90.00
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.643,2.33],
"number_observations": 111019,
"number_observations_unique": 41403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.330],
"number_observations": 18182,
"number_observations_unique": 6495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.441
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.610,2.460],
"number_observations": 16698,
"number_observations_unique": 6152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.780,2.610],
"number_observations": 11777,
"number_observations_unique": 4443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 76.500
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.010,2.780],
"number_observations": 13948,
"number_observations_unique": 5346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [3.300,3.010],
"number_observations": 13106,
"number_observations_unique": 4976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [3.680,3.300],
"number_observations": 8874,
"number_observations_unique": 3436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 76.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [4.250,3.680],
"number_observations": 8312,
"number_observations_unique": 3152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 79.300
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [5.210,4.250],
"number_observations": 8875,
"number_observations_unique": 3359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 30.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [7.370,5.210],
"number_observations": 6707,
"number_observations_unique": 2600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [59.670,7.370],
"number_observations": 4540,
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 34.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.100
}
]
}
]
}