Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5241e947db5cbcc937a0a6df2106623d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.265,
"b": 54.155,
"c": 60.120,
"alpha": 90.00,
"beta": 91.42,
"gamma": 90.00
},
"wavelengths": [0.91840,0.97942,0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.044,1.62],
"number_observations_unique": 33727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.620],
"number_observations": 7131,
"number_observations_unique": 2397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.768
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.710,1.660],
"number_observations": 8708,
"number_observations_unique": 2428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.623
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.760,1.710],
"number_observations": 8639,
"number_observations_unique": 2370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.810,1.760],
"number_observations": 8322,
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.870,1.810],
"number_observations": 8231,
"number_observations_unique": 2242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.940,1.870],
"number_observations": 7854,
"number_observations_unique": 2152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.010,1.940],
"number_observations": 7509,
"number_observations_unique": 2059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.090,2.010],
"number_observations": 7290,
"number_observations_unique": 1990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.180,2.090],
"number_observations": 7067,
"number_observations_unique": 1933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.290,2.180],
"number_observations": 6669,
"number_observations_unique": 1830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.410,2.290],
"number_observations": 6338,
"number_observations_unique": 1743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.560,2.410],
"number_observations": 5901,
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.740,2.560],
"number_observations": 5672,
"number_observations_unique": 1585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.960,2.740],
"number_observations": 5193,
"number_observations_unique": 1449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.240,2.960],
"number_observations": 4768,
"number_observations_unique": 1335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.620,3.240],
"number_observations": 4251,
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.180,3.620],
"number_observations": 3610,
"number_observations_unique": 1072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [5.120,4.180],
"number_observations": 3062,
"number_observations_unique": 912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [7.240,5.120],
"number_observations": 2645,
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [29.044,7.240],
"number_observations": 1421,
"number_observations_unique": 403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}