Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c28c65bcd88c7541f76062a6c3fc7da",
"space_group_name": "P -1",
"unit_cell": {
"a": 28.38,
"b": 31.73,
"c": 36.75,
"alpha": 90.117,
"beta": 99.614,
"gamma": 96.521
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.794,2.100],
"number_observations_unique": 7112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0772
},
{
"type": "I/SigI",
"value": 8.66
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 3.71
}
]
},
"refln_shells": [
{
"resolution_limits": [2.13,2.10],
"number_observations": 1435,
"number_observations_unique": 220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2960
},
{
"type": "I/SigI",
"value": 3.02
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 3.74
}
]
},
{
"resolution_limits": [2.18,2.13],
"number_observations": 1553,
"number_observations_unique": 444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2539
},
{
"type": "I/SigI",
"value": 3.67
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 3.68
}
]
},
{
"resolution_limits": [2.23,2.18],
"number_observations": 1628,
"number_observations_unique": 436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2169
},
{
"type": "I/SigI",
"value": 4.16
},
{
"type": "Completeness",
"value": 95.8
},
{
"type": "Redundancy",
"value": 3.68
}
]
},
{
"resolution_limits": [2.28,2.23],
"number_observations": 1462,
"number_observations_unique": 376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1947
},
{
"type": "I/SigI",
"value": 4.50
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 3.76
}
]
},
{
"resolution_limits": [2.34,2.28],
"number_observations": 1688,
"number_observations_unique": 428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1790
},
{
"type": "I/SigI",
"value": 4.89
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 3.73
}
]
},
{
"resolution_limits": [2.40,2.34],
"number_observations": 1555,
"number_observations_unique": 376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1749
},
{
"type": "I/SigI",
"value": 5.10
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 3.76
}
]
},
{
"resolution_limits": [2.47,2.40],
"number_observations": 1680,
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1450
},
{
"type": "I/SigI",
"value": 6.24
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 3.73
}
]
},
{
"resolution_limits": [2.55,2.47],
"number_observations": 1529,
"number_observations_unique": 403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1474
},
{
"type": "I/SigI",
"value": 6.48
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 3.72
}
]
},
{
"resolution_limits": [2.63,2.55],
"number_observations": 1593,
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1198
},
{
"type": "I/SigI",
"value": 6.73
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 3.75
}
]
},
{
"resolution_limits": [2.73,2.63],
"number_observations": 1584,
"number_observations_unique": 370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1208
},
{
"type": "I/SigI",
"value": 7.23
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 3.73
}
]
},
{
"resolution_limits": [2.83,2.73],
"number_observations": 1615,
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1034
},
{
"type": "I/SigI",
"value": 8.10
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 3.78
}
]
},
{
"resolution_limits": [2.97,2.83],
"number_observations": 1481,
"number_observations_unique": 372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1087
},
{
"type": "I/SigI",
"value": 9.39
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 3.75
}
]
},
{
"resolution_limits": [3.13,2.97],
"number_observations": 1793,
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0875
},
{
"type": "I/SigI",
"value": 10.47
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 3.79
}
]
},
{
"resolution_limits": [3.33,3.13],
"number_observations": 1462,
"number_observations_unique": 374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0796
},
{
"type": "I/SigI",
"value": 11.03
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 3.72
}
]
},
{
"resolution_limits": [3.59,3.33],
"number_observations": 1629,
"number_observations_unique": 365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0682
},
{
"type": "I/SigI",
"value": 12.72
},
{
"type": "Completeness",
"value": 95.8
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.96,3.59],
"number_observations": 1543,
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0648
},
{
"type": "I/SigI",
"value": 14.88
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 3.61
}
]
},
{
"resolution_limits": [4.53,3.96],
"number_observations": 1500,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0596
},
{
"type": "I/SigI",
"value": 15.34
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 3.62
}
]
},
{
"resolution_limits": [5.69,4.53],
"number_observations": 1542,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0624
},
{
"type": "I/SigI",
"value": 15.58
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [27.794,5.69],
"number_observations": 1557,
"number_observations_unique": 358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0597
},
{
"type": "I/SigI",
"value": 16.34
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 3.72
}
]
}
]
}