Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ec614b9ea96dea3b11c002046eae6c0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 124.525,
"b": 148.702,
"c": 125.648,
"alpha": 90.00,
"beta": 112.87,
"gamma": 90.00
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,2.7],
"number_observations_unique": 115303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 4.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.75,2.70],
"number_observations_unique": 5661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.681
},
{
"type": "I/SigI",
"value": 2.05
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 4.3
}
]
},
{
"resolution_limits": [2.80,2.75],
"number_observations_unique": 5665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 2.43
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [2.85,2.80],
"number_observations_unique": 5703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "I/SigI",
"value": 2.72
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 4.5
}
]
},
{
"resolution_limits": [2.91,2.85],
"number_observations_unique": 5748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 3.10
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.97,2.91],
"number_observations_unique": 5714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 3.57
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [3.04,2.97],
"number_observations_unique": 5746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 4.20
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 4.7
}
]
},
{
"resolution_limits": [3.12,3.04],
"number_observations_unique": 5742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 5.36
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [3.20,3.12],
"number_observations_unique": 5744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 6.33
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [3.29,3.20],
"number_observations_unique": 5764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 7.53
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [3.40,3.29],
"number_observations_unique": 5725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 8.40
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 4.9
}
]
},
{
"resolution_limits": [3.52,3.40],
"number_observations_unique": 5739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 8.94
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 4.9
}
]
},
{
"resolution_limits": [3.66,3.52],
"number_observations_unique": 5784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 7.69
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 4.5
}
]
},
{
"resolution_limits": [3.83,3.66],
"number_observations_unique": 5782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 8.99
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [4.03,3.83],
"number_observations_unique": 5769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 13.50
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [4.28,4.03],
"number_observations_unique": 5777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 17.19
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 4.9
}
]
},
{
"resolution_limits": [4.61,4.28],
"number_observations_unique": 5830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 20.14
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [5.07,4.61],
"number_observations_unique": 5777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 22.25
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [5.80,5.07],
"number_observations_unique": 5847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 22.09
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [7.30,5.80],
"number_observations_unique": 5865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 22.11
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [30,7.30],
"number_observations_unique": 5921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 27.38
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 4.7
}
]
}
]
}