Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c80617cede13fad8468f92ec9d5ab127",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 71.21,
"b": 72.69,
"c": 45.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.000],
"number_observations_unique": 16088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 19.250
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 2080,
"number_observations_unique": 1041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 86.500
}
]
},
{
"resolution_limits": [2.110,2.050],
"number_observations": 2596,
"number_observations_unique": 1097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 96.100
}
]
},
{
"resolution_limits": [2.170,2.110],
"number_observations": 3459,
"number_observations_unique": 1118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [2.240,2.170],
"number_observations": 3672,
"number_observations_unique": 1074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.310,2.240],
"number_observations": 3621,
"number_observations_unique": 1067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.390,2.310],
"number_observations": 3503,
"number_observations_unique": 1030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations": 3459,
"number_observations_unique": 1006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations": 3246,
"number_observations_unique": 949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations": 3171,
"number_observations_unique": 925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 14.9
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.830,2.700],
"number_observations": 3071,
"number_observations_unique": 895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 17.0
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.980,2.830],
"number_observations": 2870,
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 18.3
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.160,2.980],
"number_observations": 2752,
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 21.4
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.380,3.160],
"number_observations": 2643,
"number_observations_unique": 768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 28.4
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.650,3.380],
"number_observations": 2387,
"number_observations_unique": 700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 35.8
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [4.000,3.650],
"number_observations": 2223,
"number_observations_unique": 659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 44.6
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [4.470,4.000],
"number_observations": 1980,
"number_observations_unique": 585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 50.8
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [5.160,4.470],
"number_observations": 1743,
"number_observations_unique": 525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 49.1
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [6.320,5.160],
"number_observations": 1518,
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 41.3
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [8.940,6.320],
"number_observations": 1169,
"number_observations_unique": 362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 50.4
},
{
"type": "Completeness",
"value": 96.800
}
]
}
]
}