Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c39fe9d78f1892b353fedef2cb6e587e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.640,
"b": 49.995,
"c": 55.130,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370,0.97960,0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.553,1.23],
"number_observations_unique": 30048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.230],
"number_observations": 7515,
"number_observations_unique": 2198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.612
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.300,1.260],
"number_observations": 7240,
"number_observations_unique": 2119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.330,1.300],
"number_observations": 7120,
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.380,1.330],
"number_observations": 6974,
"number_observations_unique": 2039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.420,1.380],
"number_observations": 6702,
"number_observations_unique": 1940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.470,1.420],
"number_observations": 6623,
"number_observations_unique": 1929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.530,1.470],
"number_observations": 6260,
"number_observations_unique": 1825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.590,1.530],
"number_observations": 6094,
"number_observations_unique": 1771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.660,1.590],
"number_observations": 5881,
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.740,1.660],
"number_observations": 5594,
"number_observations_unique": 1633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.830,1.740],
"number_observations": 5308,
"number_observations_unique": 1552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.940,1.830],
"number_observations": 4951,
"number_observations_unique": 1455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.080,1.940],
"number_observations": 4740,
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.250,2.080],
"number_observations": 4286,
"number_observations_unique": 1281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.460,2.250],
"number_observations": 3924,
"number_observations_unique": 1200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 9.6
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.750,2.460],
"number_observations": 3383,
"number_observations_unique": 1081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.180,2.750],
"number_observations": 3093,
"number_observations_unique": 964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.890,3.180],
"number_observations": 2917,
"number_observations_unique": 834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 14.9
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [5.500,3.890],
"number_observations": 2278,
"number_observations_unique": 662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [29.553,5.500],
"number_observations": 1173,
"number_observations_unique": 376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.100
}
]
}
]
}