Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f49fcc39328546dbf05d88cd8980770",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 86.53,
"b": 89.27,
"c": 131.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,1.710],
"number_observations": 542173,
"number_observations_unique": 106943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations_unique": 5124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [1.770,1.740],
"number_observations_unique": 5151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [1.810,1.770],
"number_observations_unique": 5181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [1.840,1.810],
"number_observations_unique": 5150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [1.880,1.840],
"number_observations_unique": 5205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [1.930,1.880],
"number_observations_unique": 5243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 5220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.030,1.970],
"number_observations_unique": 5254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.090,2.030],
"number_observations_unique": 5287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.150,2.090],
"number_observations_unique": 5316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations_unique": 5322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations_unique": 5336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.430,2.320],
"number_observations_unique": 5368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.550,2.430],
"number_observations_unique": 5429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.710,2.550],
"number_observations_unique": 5408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.920,2.710],
"number_observations_unique": 5447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [3.210,2.920],
"number_observations_unique": 5509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 15.4
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [3.680,3.210],
"number_observations_unique": 5541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 19.3
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [4.620,3.680],
"number_observations_unique": 5621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 23.5
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [20.000,4.620],
"number_observations_unique": 5831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 22.9
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.900
}
]
}
]
}