Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4d3a3c4cae2a6f3695cb824e2c932bf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 85.49,
"b": 83.32,
"c": 87.87,
"alpha": 90.00,
"beta": 116.59,
"gamma": 90.00
},
"wavelengths": [1.03317],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.050],
"number_observations_unique": 68845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 13.620
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.10,2.05],
"number_observations": 17312,
"number_observations_unique": 5022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [2.16,2.10],
"number_observations": 17591,
"number_observations_unique": 4978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.22,2.16],
"number_observations": 17092,
"number_observations_unique": 4799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.29,2.22],
"number_observations": 16844,
"number_observations_unique": 4685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [2.37,2.29],
"number_observations": 16610,
"number_observations_unique": 4547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.45,2.37],
"number_observations": 16124,
"number_observations_unique": 4380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [2.54,2.45],
"number_observations": 15697,
"number_observations_unique": 4248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [2.65,2.54],
"number_observations": 15103,
"number_observations_unique": 4066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.76,2.65],
"number_observations": 14597,
"number_observations_unique": 3952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [2.90,2.76],
"number_observations": 13752,
"number_observations_unique": 3705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [3.06,2.90],
"number_observations": 13211,
"number_observations_unique": 3572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 15.1
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [3.24,3.06],
"number_observations": 12414,
"number_observations_unique": 3370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 18.4
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [3.47,3.24],
"number_observations": 11392,
"number_observations_unique": 3148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 22.7
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [3.74,3.47],
"number_observations": 10615,
"number_observations_unique": 2955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 27.2
},
{
"type": "Completeness",
"value": 98.70
}
]
},
{
"resolution_limits": [4.10,3.74],
"number_observations": 9653,
"number_observations_unique": 2710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 29.9
},
{
"type": "Completeness",
"value": 98.70
}
]
},
{
"resolution_limits": [4.58,4.10],
"number_observations": 8758,
"number_observations_unique": 2453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 33.7
},
{
"type": "Completeness",
"value": 98.30
}
]
},
{
"resolution_limits": [5.29,4.58],
"number_observations": 7739,
"number_observations_unique": 2156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 35.2
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [6.48,5.29],
"number_observations": 6747,
"number_observations_unique": 1854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 33.5
},
{
"type": "Completeness",
"value": 98.80
}
]
},
{
"resolution_limits": [9.17,6.48],
"number_observations": 5212,
"number_observations_unique": 1439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 36.7
},
{
"type": "Completeness",
"value": 98.60
}
]
},
{
"resolution_limits": [50,9.17],
"number_observations": 2857,
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 40.6
},
{
"type": "Completeness",
"value": 97.20
}
]
}
]
}