Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00f0d3c38211e23d93ab5224349f9ed4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 74.671,
"b": 90.433,
"c": 82.564,
"alpha": 90.00,
"beta": 115.54,
"gamma": 90.00
},
"wavelengths": [0.87300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.22,2.40],
"number_observations_unique": 38283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.53,2.40],
"number_observations": 14406,
"number_observations_unique": 5561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.68,2.53],
"number_observations": 13713,
"number_observations_unique": 5313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.87,2.68],
"number_observations": 12891,
"number_observations_unique": 4996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [3.10,2.87],
"number_observations": 12084,
"number_observations_unique": 4662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [3.39,3.10],
"number_observations": 11055,
"number_observations_unique": 4281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [3.79,3.39],
"number_observations": 9755,
"number_observations_unique": 3871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [4.38,3.79],
"number_observations": 7958,
"number_observations_unique": 3264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 94.50
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [5.37,4.38],
"number_observations": 7366,
"number_observations_unique": 2897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [7.59,5.37],
"number_observations": 5748,
"number_observations_unique": 2251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [45.22,7.59],
"number_observations": 2890,
"number_observations_unique": 1187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 94.60
},
{
"type": "Redundancy",
"value": 2.40
}
]
}
]
}