Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f31310df69f66eb4bb75bc5a6377364",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 110.183,
"b": 149.939,
"c": 95.760,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91730],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.49,1.500],
"number_observations": 1212267,
"number_observations_unique": 248661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.500],
"number_observations": 171811,
"number_observations_unique": 34928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.796
},
{
"type": "R(pim)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [1.680,1.580],
"number_observations": 169167,
"number_observations_unique": 34229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(pim)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [1.790,1.680],
"number_observations": 152042,
"number_observations_unique": 32157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "R(pim)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [1.940,1.790],
"number_observations": 145016,
"number_observations_unique": 29889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.120,1.940],
"number_observations": 141184,
"number_observations_unique": 27870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.370,2.120],
"number_observations": 124535,
"number_observations_unique": 25265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.740,2.370],
"number_observations": 102352,
"number_observations_unique": 22142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.350,2.740],
"number_observations": 96395,
"number_observations_unique": 19050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [4.740,3.350],
"number_observations": 69427,
"number_observations_unique": 14860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [29.486,4.740],
"number_observations": 40338,
"number_observations_unique": 8271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
}
]
}