Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4cadd2925695e35155dccdb0ce44778a",
"space_group_name": "P 1",
"unit_cell": {
"a": 70.65,
"b": 74.22,
"c": 79.70,
"alpha": 64.97,
"beta": 69.48,
"gamma": 66.02
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.515,2.126],
"number_observations": 181754,
"number_observations_unique": 68185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.130],
"number_observations": 23984,
"number_observations_unique": 9066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.541
},
{
"type": "R(pim)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 84.400
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.380,2.240],
"number_observations": 25944,
"number_observations_unique": 9679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.540,2.380],
"number_observations": 24351,
"number_observations_unique": 9092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations": 22629,
"number_observations_unique": 8428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.010,2.740],
"number_observations": 20735,
"number_observations_unique": 7754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.360,3.010],
"number_observations": 18656,
"number_observations_unique": 7030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.880,3.360],
"number_observations": 16230,
"number_observations_unique": 6116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [4.750,3.880],
"number_observations": 13493,
"number_observations_unique": 5112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [6.720,4.750],
"number_observations": 9572,
"number_observations_unique": 3650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [57.395,6.720],
"number_observations": 6160,
"number_observations_unique": 2258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.700
}
]
}
]
}